SCHEMBL7005437

SCHEMBL7005437

COc1ccc(C(=O)Nc2scc(C)c2C(N)=O)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
ALDH1A1 P00352 4/20 0.46
FLT3 P36888 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
PRNP P04156 1/20 0.42
ATM Q13315 1/20 0.42
PKM P14618 3/20 0.41
RECQL P46063 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 0.83 KMT2A (0.60) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7002116 0.81 FLT3 (0.46) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7676444 0.77 FLT3 (0.55) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL20710964 0.77 KMT2A (0.74) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7674468 0.73 RAB9A (0.53) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7002930 0.73 RAB9A (0.53) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7005500 0.71 FLT3 (0.64) PDE4DMAPTKDM4EKMT2AMEN1
SCHEMBL7676274 0.71 FLT3 (0.64) PDE4DMAPTKDM4EKMT2AMEN1
SCHEMBL6999443 0.71 KMT2A (0.54) MAPTKMT2AMEN1ALDH1A1FLT3
SCHEMBL1930005 0.71 EPHB4 (0.40) MAPTKDM4EKMT2AMEN1ALDH1A1

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