SCHEMBL8401035

SCHEMBL8401035

O=C(c1nc2ccc(O)cc2s1)c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.67
HSD17B2 P37059 7/20 0.67
MAOB P27338 12/20 0.61
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2B6 P20813 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPT P10636 1/20 0.50
SNCA P37840 1/20 0.50
DYRK1A Q13627 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
SCHEMBL8403986 0.86 HSD17B1 (0.79) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8400525 0.84 HSD17B1 (0.67) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8405393 0.81 MAOB (0.64) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL27371953 0.80 HSD17B1 (0.62) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8400538 0.80 HSD17B1 (0.81) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL30014 0.80 HSD17B1 (1.00) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8403940 0.80 HSD17B1 (0.78) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8402917 0.80 HSD17B1 (0.61) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8403931 0.78 HSD17B1 (0.70) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL8405368 0.77 HSD17B1 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0735029-A1 Benzothiazole derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-10-02 EP disclosed