SCHEMBL583713

SCHEMBL583713

CCc1cc(Cc2ccc(N=C=O)cc2)cc(CC)c1N=C=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
TSHR P16473 1/20 0.65
CYP1A2 P05177 1/20 0.53
GABRA1 P14867 2/20 0.51
GABRB2 P47870 2/20 0.51
TRPA1 O75762 1/20 0.38
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.32
P2RY6 Q15077 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
PTPN1 P18031 2/20 0.30
PTPN2 P17706 1/20 0.30
PTPN6 P29350 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL80318 0.88 GABRA1 (0.59) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL10635526 0.83 CYP3A4 (0.62) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL22966371 0.82 CYP3A4 (0.87) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL9558687 0.82 CYP3A4 (0.67) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL9741378 0.82 CYP3A4 (0.57) CYP3A4TSHRCYP1A2GABRA1GABRB2
Ethane SCHEMBL20537385 0.80 CYP3A4 (0.91) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL2044965 0.80 CYP3A4 (1.00) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL19943 0.80 CYP3A4 (1.00) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL12852256 0.80 CYP3A4 (1.00) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL1396496 0.80 CYP3A4 (1.00) CYP3A4TSHRCYP1A2GABRA1GABRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691959-B1 Moisture curable silicone hot melt HENKEL CORPORATION (US) 2010-04-06 US claimed
US-20100061823-A1 DRY-TO-THE-TOUCH ANAEROBICALLY CURABLE COMPOSITIONS AND PRODUCTS MADE THEREFROM HENKEL CORPORATION (US) 2010-03-11 US claimed
WO-2008153668-A2 DRY-TO-THE-TOUCH ANAEROBICALLY CURABLE COMPOSITIONS AND PRODUCTS MADE THEREFROM HENKEL CORPORATION (US) 2008-12-18 WO claimed
EP-1971427-A1 VISIBLE LIGHT CURING SYSTEMS, METHODS FOR REDUCING HEALTH RISKS TO INDIVIDUALS EXPOSED TO SYSTEMS DESIGNED TO CURE CURABLE COMPOSITIONS BY EXPOSURE TO RADIATION, METHODS FOR BONDING SUBSTRATES AND VISIBLE LIGHT CURING COMPOSITIONS Henkel Corporation (US) 2008-09-24 EP claimed
US-20080139687-A1 Vinyl Ether/Acrylate Block Resins, Compositions and Methods of Making Same HENKEL CORPORATION (US) 2008-06-12 US claimed
WO-2007078851-A1 VISIBLE LIGHT CURING SYSTEMS, METHODS FOR REDUCING HEALTH RISKS TO INDIVIDUALS EXPOSED TO SYSTEMS DESIGNED TO CURE CURABLE COMPOSITIONS BY EXPOSURE TO RADIATION, METHODS FOR BONDING SUBSTRATES AND VISIBLE LIGHT CURING COMPOSITIONS HENKEL CORPORATION (US) 2007-07-12 WO claimed
US-20070138411-A1 Visible light curing systems, methods for reducing health risks to individuals exposed to systems designed to cure curable compositions by exposure to radiation, methods for bonding substrates and visible light curing compositions HENKEL CORPORATION 2007-06-21 US claimed
US-5359014-A Low temperature curing CYTEC TECHNOLOGY CORP. (US) 1994-10-25 US claimed
US-5175201-A VINYL-TERMINATED CARBAMYLMETHYLATED MELAMINES, VINYL-TERMINATED POLYURETHANE/POLYAMIDE POLYMERS AND COATING/ADHESIVE COMPOSITIONS CONTAINING SAME AMERICAN CYANAMID COMPANY (US) 1992-12-29 US claimed
US-20180245719-A1 Connection Systems for Refrigeration Filter Dryer Units and Methods for their Manufacture HENKEL CORPORATION 2018-08-30 US disclosed
US-20180156364-A1 High Pressure Connection Systems and Methods for their Manufacture HENKEL CORPORATION 2018-06-07 US disclosed
US-9828529-B2 Cyanoacrylate compositions in non-flowable forms Henkel IP & Holding GmbH (DE) 2017-11-28 US disclosed
EP-2337825-B1 CYANOACRYLATE COMPOSITIONS IN NON-FLOWABLE FORMS Henkel IP & Holding GmbH (DE) 2016-12-21 EP disclosed
US-20160362581-A1 CYANOACRYLATE COMPOSITIONS IN NON-FLOWABLE FORMS HENKEL CORPORATION 2016-12-15 US disclosed
US-4309526-A IMPACT AND CRYOGENIC STRENGTH LOCTITE CORPORATION (US) 1982-01-05 US disclosed
US-4295909-A ADHESIVE AND SEALANT, URETHANE-ACRYLATE-CAPPED POLYOL OR POLYAMINE OF POLYBUTADIENE OR BUTADIENE COPOLYMER LOCTITE CORPORATION (US) 1981-10-20 US disclosed
US-4255570-A POLYURETHANES, POLYUREAS BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed
EP-0013923-A1 Suspensions of isocyanatourea in isocyanate prepolymers, a process for their preparation and their use in the preparation of high-molecular polyurethane plastics BAYER AG (DE) 1980-08-06 EP disclosed
EP-0000893-A1 Process for the preparation of polyisocyanates and their use BAYER AG (DE) 1979-03-07 EP disclosed
US-4018851-A Curable poly(alkylene) ether polyol-based grafted resins having improved properties LOCTITE CORPORATION (US) 1977-04-19 US disclosed