SCHEMBL4835685

SCHEMBL4835685

CC(C#N)(Cc1ccc(Cl)cc1)N=NC(C)(C#N)Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
CHRNA4 P43681 1/20 0.50
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL4832946 0.81 SLC6A2 (0.47) SLC6A2ESR1ESR2ALDH1A1LMNA
SCHEMBL5598005 0.81 SLC6A2 (0.47) SLC6A2ESR1ESR2ALDH1A1LMNA
SCHEMBL6825275 0.79 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL2823833 0.79 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11862878 0.76 SLC6A2 (0.42) SLC6A2ESR1ESR2ALDH1A1LMNA
SCHEMBL11862882 0.76 SLC6A2 (0.42) SLC6A2ESR1ESR2ALDH1A1LMNA
SCHEMBL11862186 0.75 SLC6A2 (0.41) SLC6A2ESR1ESR2ALDH1A1LMNA
SCHEMBL4828585 0.75 TSHR (0.45) ALDH1A1KMT2AKDM4EMAPTKCNH2
SCHEMBL28619495 0.72 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL6824263 0.72 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AHRH1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006110305-A1 PHOTOCHROMIC OPHTHALMIC DEVICES MADE WITH DUAL INITIATOR SYSTEM JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO claimed
US-20060227287-A1 Photochromic ophthalmic devices made with dual initiator system MOLOCK FRANK 2006-10-12 US claimed
US-4618647-A TWO POLYMERIZATION CATALYSTS UNION CARBIDE CORP. (US) 1986-10-21 US claimed
US-20230332006-A1 WHITE INKJET INK COMPOSITIONS COMPRISING HOLLOW COMPOSITE PARTICLES INNER MONGOLIA XIANHONG SCIENCE CO., LTD. (CN) 2023-10-19 US disclosed
US-7358315-B2 Thermoplastic allyloxymethylstyrene-based resin FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2008-04-15 US disclosed
EP-1869506-A1 PHOTOCHROMIC CONTACT LENSES AND METHODS FOR THEIR PRODUCTION Johnson and Johnson Vision Care, Inc. (US) 2007-12-26 EP disclosed
WO-2006110306-A1 PHOTOCHROMIC CONTACT LENSES AND METHODS FOR THEIR PRODUCTION JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO disclosed
WO-2006110305-A1 PHOTOCHROMIC OPHTHALMIC DEVICES MADE WITH DUAL INITIATOR SYSTEM JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO disclosed
US-20050258408-A1 Photochromic contact lenses and methods for their production MOLOCK FRANK F 2005-11-24 US disclosed
US-6939595-B2 Magnetic recording medium substrate using thermoplastic allyloxymethylstyrene resin, magnetic recording medium using the substrate, and method of manufacturing the magnetic recording medium FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2005-09-06 US disclosed
US-20040151948-A1 Magnetic recording medium substrate using thermoplastic allyloxymethylstyrene resin, magnetic recording medium using the substrate, and method of manufacturing the magnetic recording medium FUJI ELECTRIC CO., LTD. (JP) 2004-08-05 US disclosed
US-20040106756-A1 Thermoplastic allyloxymethylstyrene-based resin FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2004-06-03 US disclosed
EP-0272004-B1 BI-INITIATOR SYSTEM FOR WATER-IN-OIL EMULSION POLYMERS EXXON CHEMICAL PATENTS INC. (US) 1990-11-28 EP disclosed
US-4739008-A OIL SOLUBLE AND WATER SOLUBLE INITIATORS OR ACTIVATORS FOR ADDITION POLYMERS; REPRODUCTIBLY POLYMERIZABLE EXXON CHEMICAL PATENTS INC. (US) 1988-04-19 US disclosed
US-4727110-A TWO-STAGE; POLYMER AS STABILIZER UNION CARBIDE CORPORATION (US) 1988-02-23 US disclosed
US-4618647-A TWO POLYMERIZATION CATALYSTS UNION CARBIDE CORP. (US) 1986-10-21 US disclosed
EP-0005296-B1 PROCESS FOR THE MANUFACTURE OF DICHLOROMETHANE SOLVAY & Cie (Société Anonyme) (BE) 1982-01-06 EP disclosed
EP-0005296-A1 Process for the manufacture of dichloromethane SOLVAY & Cie (Société Anonyme) (BE) 1979-11-14 EP disclosed
US-3970612-A BULK POLYMERIZATION HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-07-20 US disclosed