SCHEMBL8918078

SCHEMBL8918078

CCc1sc2c(c1CCBr)CCN(C(C)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BPTF Q12830 1/20 0.44
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 7/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 7/20 0.37
POLB P06746 1/20 0.36
GRM5 P41594 1/20 0.36
THRB P10828 1/20 0.35

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 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8916546 0.85 BPTF (0.47) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8917746 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8991837 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8915764 0.73 BPTF (0.48) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8917919 0.73 BPTF (0.45) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8916936 0.71 BPTF (0.46) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8917602 0.70 ALDH1A1 (0.48) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8916773 0.70 BPTF (0.45) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8918745 0.70 BPTF (0.45) ALDH1A1L3MBTL1BPTFKDM4EHPGD

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