SCHEMBL8917746

SCHEMBL8917746

CCc1c(CCCl)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BPTF Q12830 1/20 0.44
MAPT P10636 8/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 7/20 0.39
GAA P10253 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
THRB P10828 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL8918691 0.91 ALDH1A1 (0.46) ALDH1A1L3MBTL1BPTFMAPTKDM4E
SCHEMBL8991837 0.90 ALDH1A1 (0.45) ALDH1A1L3MBTL1BPTFMAPTKDM4E
SCHEMBL8915764 0.84 BPTF (0.48) ALDH1A1L3MBTL1BPTFMAPTKDM4E
SCHEMBL8917919 0.83 BPTF (0.45) ALDH1A1L3MBTL1BPTFMAPTKDM4E
SCHEMBL8917602 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1BPTFMAPTKDM4E
SCHEMBL8918078 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1BPTFMAPTKDM4E
SCHEMBL8916936 0.79 BPTF (0.46) ALDH1A1L3MBTL1BPTFMAPTKDM4E
SCHEMBL8916773 0.78 BPTF (0.45) ALDH1A1L3MBTL1BPTFMAPTKDM4E
SCHEMBL8916698 0.73 BPTF (0.39) ALDH1A1L3MBTL1BPTFMAPTKDM4E
SCHEMBL8915727 0.73 HTR2C (0.52) KDM4E

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-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
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