SCHEMBL8401031

SCHEMBL8401031

COc1cccc(C(=O)c2nc3ccc(O)cc3s2)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.74
HSD17B2 P37059 8/20 0.74
MAOB P27338 5/20 0.63
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2B6 P20813 2/20 0.61
CYP2C19 P33261 2/20 0.61
SCD O00767 1/20 0.55
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SULT1A1 P50225 1/20 0.50
MAPT P10636 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
SCHEMBL8405370 0.90 HSD17B1 (0.74) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL31119 0.86 HSD17B1 (0.65) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL31078 0.86 RAB9A (0.65) HSD17B1HSD17B2MEN1NPC1RAB9A
SCHEMBL29786 0.86 HSD17B1 (1.00) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8400513 0.84 HSD17B1 (0.80) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8404873 0.84 HSD17B1 (0.72) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8400538 0.82 HSD17B1 (0.81) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8400518 0.81 HSD17B1 (0.80) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8404891 0.81 HSD17B1 (0.80) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8402863 0.81 HSD17B1 (0.68) HSD17B1HSD17B2MAOBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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