SCHEMBL8401401

SCHEMBL8401401

O=C(c1cccc([N+](=O)[O-])c1)c1nc2ccc(O)cc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 0.73
HSD17B2 P37059 8/20 0.73
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2B6 P20813 2/20 0.57
CYP2C19 P33261 2/20 0.57
MAOB P27338 1/20 0.55
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
SNCA P37840 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8403919 0.86 MAOB (0.65) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL29786 0.85 HSD17B1 (1.00) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8403959 0.84 HSD17B1 (0.59) HSD17B1HSD17B2MEN1NPC1RAB9A
SCHEMBL8400538 0.81 HSD17B1 (0.81) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8400513 0.80 HSD17B1 (0.80) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8400518 0.80 HSD17B1 (0.80) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8404891 0.80 HSD17B1 (0.80) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL30049 0.78 HSD17B1 (0.76) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8402917 0.77 HSD17B1 (0.61) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8401031 0.77 HSD17B1 (0.74) 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 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