SCHEMBL6997315

SCHEMBL6997315

COc1cccc2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)oc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KMT2A Q03164 4/20 0.60
FLT3 P36888 1/20 0.60
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 7/20 0.49
RAB9A P51151 7/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 2/20 0.49
MAPK10 P53779 1/20 0.49
NPC1 O15118 6/20 0.48
MEN1 O00255 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 5/20 0.47
CASP1 P29466 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47

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
SCHEMBL6996786 0.82 FLT3 (0.70) ALDH1A1KMT2AFLT3SMN1; SMN2RAB9A
SCHEMBL4745478 0.77 KMT2A (1.00) ALDH1A1KMT2ALMNARECQLSMN1; SMN2
SCHEMBL4140799 0.77 GAA (0.59) ALDH1A1KMT2ARAB9AHSD17B10HPGD
SCHEMBL5584871 0.76 KMT2A (0.72) ALDH1A1KMT2ALMNARECQLSMN1; SMN2
SCHEMBL7002672 0.75 FLT3 (1.00) ALDH1A1KMT2AFLT3LMNARECQL
SCHEMBL6833294 0.75 RAB9A (0.66) ALDH1A1KMT2ALMNARECQLSMN1; SMN2
SCHEMBL6839243 0.75 NPC1 (0.74) ALDH1A1KMT2ALMNARECQLSMN1; SMN2
SCHEMBL6839269 0.74 LMNA (0.60) ALDH1A1KMT2ALMNARECQLSMN1; SMN2
SCHEMBL6280292 0.73 NPC1 (0.65) ALDH1A1KMT2ALMNARECQLSMN1; SMN2
SCHEMBL16688463 0.73 NPC1 (0.67) ALDH1A1KMT2ALMNARECQLSMN1; SMN2

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-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed