SCHEMBL369872

SCHEMBL369872

O=C(O)Oc1csc(-c2cccnc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.59
AXL P30530 1/20 0.59
PBRM1 Q86U86 1/20 0.59
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
IRAK4 Q9NWZ3 3/20 0.54
CYP2E1 P05181 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
TLR7 Q9NYK1 1/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL27556091 0.87 CYP19A1 (0.55) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL4350914 0.85 HDAC1 (0.51) CYP19A1RAB9ANPC1KDM4EHDAC6
SCHEMBL2928098 0.83 HPGD (0.49) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL8298424 0.83 KDM4E (0.61) CYP19A1AXLPBRM1MKNK1MKNK2
Bromide SCHEMBL368927 0.81 CYP2E1 (0.52) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL27378968 0.79 CYP19A1 (0.67) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6719948 0.78 CYP2E1 (0.59) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL369871 0.78 HDAC6 (0.72) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL31351012 0.78 HDAC6 (0.72) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL4355345 0.76 TLR7 (0.51) CYP19A1RAB9ANPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593447-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
EP-2231652-B1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Bayer Pharma AG (DE) 2012-05-30 EP disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 WO disclosed
EP-2231652-A1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-29 EP disclosed
WO-2009074246-A1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
EP-2070924-A1 New 2 hetarylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP disclosed