SCHEMBL8400530

SCHEMBL8400530

O=C(c1ccc(O)cc1)c1nc2cc(Cl)ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.52
HSD17B2 P37059 6/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2B6 P20813 2/20 0.52
CYP2C19 P33261 2/20 0.52
MAPK1 P28482 1/20 0.49
PPARA Q07869 6/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45

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
SCHEMBL8404895 0.89 HSD17B1 (0.62) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL28258783 0.87 PPARA (0.54) HSD17B1HSD17B2PPARAHDAC6SMN1; SMN2
SCHEMBL8403931 0.83 HSD17B1 (0.70) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL3643594 0.82 HDAC6 (0.57) PPARAHDAC6SMN1; SMN2NPSR1MGAM
SCHEMBL30515646 0.82 HDAC6 (0.57) PPARAHDAC6SMN1; SMN2NPSR1MGAM
SCHEMBL3621185 0.80 HDAC6 (0.56) PPARAHDAC6SMN1; SMN2NPSR1MGAM
SCHEMBL8400514 0.80 DYRK1A (0.51) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL30049 0.79 HSD17B1 (0.76) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL1304947 0.79 HSD17B1 (0.66) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL11228986 0.79 SMN1; SMN2 (0.54) PPARAHDAC6SMN1; SMN2NPSR1MGAM

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