SCHEMBL7101043

SCHEMBL7101043

CCc1ccc(C)c(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
NOS3 P29474 3/20 0.39
NOS2 P35228 3/20 0.39
NOS1 P29475 1/20 0.39
CD44 P16070 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
HBB P68871 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
Hydrochloric Acid SCHEMBL28250964 0.98 POLB (0.41) POLBNOS3NOS2NOS1CD44
SCHEMBL12797849 0.87 POLB (0.41) POLBNOS3NOS2NOS1ALDH1A1
SCHEMBL6859142 0.83 GABRP (0.44) POLBALDH1A1MAPTCYP3A4MAPK1
SCHEMBL11049256 0.83 ATP4A (0.41) POLBNOS3NOS2NOS1CD44
SCHEMBL11661917 0.83 POLB (0.52) POLBNOS3NOS2NOS1CD44
SCHEMBL8443799 0.81 NOS2 (0.45) POLBNOS3NOS2NOS1CD44
SCHEMBL5697401 0.81 NOS3 (0.41) POLBNOS3NOS2NOS1CD44
SCHEMBL21946430 0.79 POLB (0.34) POLBNOS3NOS2NOS1CD44
SCHEMBL755515 0.78 CD44 (0.52) NOS3NOS2NOS1CD44ALDH1A1
SCHEMBL29351040 0.78 CD44 (0.52) NOS3NOS2NOS1CD44ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214907-A1 Seamless Model and Method of Making a Seamless Model HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2012-08-23 US claimed
CN-108179498-A A kind of polymer film and preparation method thereof 江苏华富储能新技术股份有限公司 2018-06-19 CN disclosed
CN-107787342-A Durable icephobic surfaces 密执安州立大学董事会 2018-03-09 CN disclosed
CN-107732115-A A kind of poly-lithium battery and preparation method thereof 江苏华富储能新技术股份有限公司 2018-02-23 CN disclosed
CN-106414539-A Method for the continuous production of stable prepolymers 科思创德国股份有限公司 2017-02-15 CN disclosed
EP-1147141-B1 ENERGY MANAGEMENT POLYURETHANE RIGID FOAMS WITH HIGH RECOVERY BAYER ANTWERPEN NV (BE) 2003-02-12 EP disclosed
US-6127443-A HIGH ENERGY ABSORBING EFFICIENCY AS WELL AS EXCEPTIONAL RECOVERY AFTER DEFORMATION, ALLOWING THEIR USE IN VISIBLE ENERGY ABSORBING STRUCTURES, PARTICULARLY IN THE TRANSPORTATION VEHICLE INDUSTRY BAYER ANTWERP N.V. (BE) 2000-10-03 US disclosed
EP-0482499-B1 Process for alkylation of aromatic diamines and catalyst for said process ALBEMARLE CORP (US) 1995-06-28 EP disclosed
EP-0482499-A2 Process for alkylation of aromatic diamines and catalyst for said process ALBEMARLE CORPORATION (US) 1992-04-29 EP disclosed
EP-0228190-B1 RIM POLYURETHANES COMPRISING MIXED DIAMINE CHAIN EXTENDERS AND PROCESS AND COMPOSITION FOR THEIR PRODUCTION ETHYL CORPORATION (US) 1991-02-27 EP disclosed
EP-0351814-A2 Poly (N-cyclic iminoether), processes for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1990-01-24 EP disclosed
US-4861914-A 2,6-DI-TERT-BUTYL-P-CRESOL ETHYL CORPORATION (US) 1989-08-29 US disclosed
EP-0228190-A2 RIM polyurethanes comprising mixed diamine chain extenders and process and composition for their production ETHYL CORPORATION (US) 1987-07-08 EP disclosed
US-4631298-A REACTION INJECTION MOLDING POLYURETHANES ETHYL CORPORATION (US) 1986-12-23 US disclosed
EP-0012909-B1 BENZIMIDAZOLYL-2-ALKANE-PHOSPHONIC ACIDS AND THEIR SALTS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS CORROSION INHIBITORS OR WETTING AGENTS BAYER AG (DE) 1983-06-15 EP disclosed
US-4278791-A CORROSION RESISTANCE, WETTING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
EP-0012909-A1 Benzimidazolyl-2-alkane-phosphonic acids and their salts, process for their preparation and their use as corrosion inhibitors or wetting agents BAYER AG (DE) 1980-07-09 EP disclosed