SCHEMBL8534672

SCHEMBL8534672

Cc1ccc(C)c2sc(-c3ccc(N)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
GLA P06280 3/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
NT5E P21589 1/20 0.52
CASP1 P29466 1/20 0.52
RECQL P46063 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
APP P05067 9/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46

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
SCHEMBL21474633 0.86 RARA (0.48) GAAGLATP53SMN1; SMN2ALDH1A1
SCHEMBL22174649 0.83 RARA (0.49) GAAGLATP53SMN1; SMN2ALDH1A1
SCHEMBL21533341 0.83 APP (0.46) GAATP53APPRARARARB
SCHEMBL18873092 0.82 ADORA3 (0.49) GAASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL20349615 0.81 RARA (0.44) GAAGLATP53SMN1; SMN2ALDH1A1
SCHEMBL21474669 0.81 PIK3CD (0.44) GAASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL17059008 0.80 APP (0.49) GAAGLATP53SMN1; SMN2ALDH1A1
SCHEMBL20349639 0.79 NPC1 (0.49) GAASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL17059006 0.79 APP (0.44) GAAALDH1A1APPKDM4ERARA
SCHEMBL17059009 0.78 RARA (0.45) GAAGLATP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581245-B1 Water-insoluble azo colouring agents CLARIANT GMBH (DE) 1998-12-23 EP disclosed
US-5428136-A Water-insoluble azo colorants having two azo groups and a 1,4-bis (acetoacetylamino) benzene coupling component HOECHST AG (DE) 1995-06-27 US disclosed
EP-0581245-A1 Water-insoluble azo colouring agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-02 EP disclosed