SCHEMBL8991820

SCHEMBL8991820

O=C(CCCCl)c1cc2c(s1)SCCNC2=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.33
PRKD3 O94806 1/20 0.31
PRKD1 Q15139 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
MAPK14 Q16539 1/20 0.31
GSK3B P49841 1/20 0.31
CASP3 P42574 1/20 0.30

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
SCHEMBL8917631 0.78 CDC7 (0.35) MAPK14GSK3BCASP3
SCHEMBL8916133 0.70 NOTUM (0.33) PRKD1MAPK14GSK3B
SCHEMBL9040253 0.68 RYR2 (0.44) RYR2PRKD3PRKD1PRKD2
SCHEMBL8991845 0.64 RYR2 (0.43) RYR2PRKD3PRKD1PRKD2
SCHEMBL8917854 0.63 PARP1 (0.35)
SCHEMBL9429883 0.63 CA2 (0.61) RYR2PRKD3PRKD1PRKD2
SCHEMBL11196961 0.58 GSK3B (0.67) GSK3BCASP3
SCHEMBL8918044 0.57 ALDH1A1 (0.33)
SCHEMBL10972012 0.57 DAO (0.50) GSK3BCASP3
SCHEMBL6609187 0.57 GSK3B (0.68) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed