SCHEMBL7002116

SCHEMBL7002116

COc1cc(OC)c(C(=O)Nc2scc(C)c2C(N)=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.46
MAPT P10636 8/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RECQL P46063 2/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALPL P05186 1/20 0.42
TERT O14746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4067013 0.84 KMT2A (0.60) MAPTMAPK1HSD17B10KMT2AMEN1
SCHEMBL7676444 0.82 FLT3 (0.55) FLT3MAPTALDH1A1KMT2AMEN1
SCHEMBL7005437 0.81 PDE4D (0.46) FLT3MAPTALDH1A1KMT2AMEN1
SCHEMBL7676274 0.74 FLT3 (0.64) FLT3MAPTALDH1A1MAPK1HSD17B10
SCHEMBL7005500 0.74 FLT3 (0.64) FLT3MAPTALDH1A1MAPK1HSD17B10
SCHEMBL6999443 0.74 KMT2A (0.54) FLT3MAPTALDH1A1KMT2AMEN1
SCHEMBL1930005 0.74 EPHB4 (0.40) FLT3MAPTALDH1A1MAPK1HSD17B10
SCHEMBL16246364 0.73 PTK2 (0.49) FLT3MAPTALDH1A1HSD17B10KMT2A
SCHEMBL26295499 0.71 EPHB4 (0.39) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL4247199 0.71 HSD17B10 (0.57) MAPTALDH1A1MAPK1HSD17B10RAB9A

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