SCHEMBL30049

SCHEMBL30049

O=C(c1ccc(O)cc1)c1nc2ccc(O)cc2s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.76
HSD17B2 P37059 9/20 0.76
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2D6 P10635 2/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2B6 P20813 2/20 0.72
CYP2C19 P33261 2/20 0.72
MAOB P27338 8/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL8402816 0.91 HSD17B1 (0.68) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8403931 0.91 HSD17B1 (0.70) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8404878 0.91 HSD17B1 (0.74) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8402862 0.91 HSD17B1 (0.74) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8400538 0.91 HSD17B1 (0.81) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8403954 0.89 HSD17B1 (0.65) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8402901 0.88 HSD17B1 (0.66) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8404895 0.88 HSD17B1 (0.62) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8400536 0.88 HSD17B1 (0.66) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL31119 0.87 HSD17B1 (0.65) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
CN-1063443-C Novel benzothiazole derivatives NIPPON INTERNAL ORGANS PHARMAC (JP) 2001-03-21 CN disclosed
US-5900426-A ANTILIPEMIC AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1999-05-04 US disclosed
EP-0735029-B1 Benzothiazole derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 1998-06-03 EP disclosed
CN-1137524-A Novel benzothiazole derivatives NIPPON INTERNAL ORGANS PHARMAC (JP) 1996-12-11 CN disclosed
EP-0735029-A1 Benzothiazole derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-10-02 EP disclosed