SCHEMBL6549465

SCHEMBL6549465

CCc1cc(N)c(N)c(CC)c1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.35
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35
NOS1 P29475 1/20 0.35
MAP4K1 Q92918 1/20 0.32
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DHFR P00374 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL26865350 0.84 ALDH1A1 (0.42) ALDH1A1HTTMAPTPOLBNOS3
SCHEMBL15270 0.83 ALDH1A1 (0.37) ALDH1A1HTTMAPTPOLBNOS3
SCHEMBL29488043 0.83 ALDH1A1 (0.37) ALDH1A1HTTMAPTPOLBNOS3
SCHEMBL14314945 0.83 ALDH1A1 (0.44) ALDH1A1HTTMAPTPOLBNOS3
SCHEMBL150659 0.83 ALDH1A1 (0.41) ALDH1A1HTTMAPTPOLBNOS3
SCHEMBL1568243 0.83 ALDH1A1 (0.37) ALDH1A1HTTMAPTPOLBNOS3
SCHEMBL103249 0.82 POLB (0.38) ALDH1A1HTTMAPTPOLBNOS3
SCHEMBL27593883 0.82 HTT (0.42) ALDH1A1HTTMAPTPOLBNOS3
SCHEMBL10431866 0.78 ALDH1A1 (0.41) ALDH1A1HTTMAPTPOLBNOS3
SCHEMBL2963613 0.78 DHFR (0.38) ALDH1A1HTTMAPTPOLBNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508190-B1 LIGHT CURABLE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2022-02-09 EP disclosed
US-10828240-B2 Light curable composition TOKUYAMA DENTAL CORPORATION (JP) 2020-11-10 US disclosed
EP-3508190-A1 PHOTOCURABLE COMPOSITION Tokuyama Dental Corporation (JP) 2019-07-10 EP disclosed
US-20190192386-A1 LIGHT CURABLE COMPOSITION TOKUYAMA DENTAL CORPORATION (JP) 2019-06-27 US disclosed
US-20120309923-A1 SOLVENTLESS ONE LIQUID TYPE CYANATE ESTER-EPOXY COMPOSITE RESIN COMPOSITION ADEKA CORPORATION (JP) 2012-12-06 US disclosed
EP-1480987-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS Celanese Ventures GmbH (DE) 2004-12-01 EP disclosed
WO-2003072584-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-09-04 WO disclosed
EP-0429169-B1 Isocyanate-reactive composition ICI PLC (GB) 1994-11-30 EP disclosed
US-5159048-A ISOCYANATE-REACTIVE COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-27 US disclosed
US-5081211-A Modified polyisocyanate reacted with a carboxy-terminated poly ester or polyether and a polyol or polyamine to form a polyure thane or polyurea IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
EP-0429169-A1 Isocyanate-reactive composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-29 EP disclosed
EP-0278334-A2 Process for the production of mouldings, mixtures suitable for this consisting of compounds reactive towards isocyanate groups and mouldings obtained according to this process BAYER AG (DE) 1988-08-17 EP disclosed