SCHEMBL6209008

SCHEMBL6209008

COc1cccc(NC(=O)NOC(=O)Cc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.71
KMT2A Q03164 5/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 5/20 0.59
MEN1 O00255 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 1/20 0.59
HIF1A Q16665 1/20 0.58
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.58
MITF O75030 1/20 0.58
NLRP3 Q96P20 1/20 0.57
CASR P41180 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56

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
SCHEMBL6208226 0.85 KMT2A (0.56) USP2KMT2ARAB9ANPC1MEN1
SCHEMBL27487690 0.83 USP2 (1.00) USP2KMT2ARAB9ANPC1MEN1
SCHEMBL14442613 0.81 TP53 (0.84) USP2KMT2ARAB9ANPC1MEN1
SCHEMBL8176742 0.81 SMN1; SMN2 (0.81) USP2KMT2ARAB9ANPC1MEN1
SCHEMBL31040569 0.80 TP53 (0.87) USP2KMT2ARAB9ANPC1MEN1
SCHEMBL4893387 0.80 TP53 (0.87) USP2KMT2ARAB9ANPC1MEN1
SCHEMBL8686054 0.78 SLC7A5 (0.59) USP2KMT2ARAB9ANPC1MEN1
SCHEMBL17084260 0.78 TP53 (0.84) USP2KMT2ARAB9ANPC1MEN1
Oxirane SCHEMBL29014918 0.78 USP2 (0.87) USP2KMT2ARAB9ANPC1MEN1
SCHEMBL29200389 0.78 TP53 (0.68) USP2KMT2ARAB9ANPC1MEN1

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-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 WO disclosed