SCHEMBL995429

SCHEMBL995429

Cc1c(N=C=O)ccc2ccc(N=C=O)cc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
TRPA1 O75762 1/20 0.56
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL26555109 0.84 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL3443182 0.81 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL3333505 0.79 CYP3A4 (0.57) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL662710 0.77 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL29642695 0.77 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL11603296 0.76 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL28191046 0.76 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL29373346 0.76 CYP3A4 (0.71) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL77895 0.76 CYP3A4 (0.71) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL542827 0.75 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627452-B1 UV-absorbing polyurethanes and polyesters CIBA GEIGY AG (CH) 1998-12-09 EP claimed
EP-0507727-B1 Glass coating with improved adhesion and weather resistance CIBA GEIGY AG (CH) 1997-01-22 EP claimed
EP-0493320-B1 Fluorine and/or Silicone containing poly(alkylene-oxide)-block copolymer hydrogels and contact lenses thereof CIBA GEIGY AG (CH) 1996-07-31 EP claimed
EP-0362145-B1 Crosslinked siloxane-urethane polymer contact lens CIBA GEIGY AG (CH) 1996-01-03 EP claimed
US-5480946-A CONTACT LENSES CIBA GEIGY CORPORATION (US) 1996-01-02 US claimed
US-5459222-A UV-absorbing polyurethanes and polyesters CIBA-GEIGY CORPORATION 1995-10-17 US claimed
US-5426158-A Interpenetrating polymer network with vinyl polymer CIBA-GEIGY CORP. (US) 1995-06-20 US claimed
US-5426204-A Trialkoxysilane with urea, urethane, sulfide or amide linkages CIBA-GEIGY CORPORATION (US) 1995-06-20 US claimed
EP-0406161-B1 Fluorine and/or silicone containing poly(alkylene-oxide)-block copolymers and contact lenses thereof CIBA GEIGY AG (CH) 1995-02-22 EP claimed
US-5372889-A Glass coating with improved adhesion and weather resistance CIBA-GEIGY CORPORATION (US) 1994-12-13 US claimed
EP-0455585-B1 Unsaturated urea polysiloxanes CIBA GEIGY AG (CH) 1994-03-23 EP claimed
US-5266715-A Covalent bonding of a siloxane-urea compound to form crosslinked copolymer CIBA-GEIGY CORPORATION (US) 1993-11-30 US claimed
EP-0507727-A2 Glass coating with improved adhesion and weather resistance CIBA-GEIGY AG (CH) 1992-10-07 EP claimed
EP-0493320-A2 Fluorine and/or Silicone containing poly(alkylene-oxide)-block copolymer hydrogels and contact lenses thereof CIBA-GEIGY AG (CH) 1992-07-01 EP claimed
US-5115056-A FLUORINE AND/OR SILICONE CONTAINING POLY(ALKYLENE-OXIDE)-BLOCK COPOLYMERS AND CONTACT LENSES THEREOF CIBA-GEIGY CORPORATION (US) 1992-05-19 US claimed
EP-0455585-A1 Unsaturated urea polysiloxanes CIBA-GEIGY AG (CH) 1991-11-06 EP claimed
US-4983702-A Crosslinked siloxane-urethane polymer contact lens CIBA-GEIGY CORPORATION (US) 1991-01-08 US claimed
EP-0406161-A2 Fluorine and/or silicone containing poly(alkylene-oxide)-block copolymers and contact lenses thereof CIBA-GEIGY AG (CH) 1991-01-02 EP claimed
US-4962178-A 0XYGEN PERMEABLE MEMBRANE CIBA-GEIGY CORPORATION (US) 1990-10-09 US claimed
EP-0362145-A2 Crosslinked siloxane-urethane polymer contact lens CIBA-GEIGY AG (CH) 1990-04-04 EP claimed