SCHEMBL9158331

SCHEMBL9158331

O=c1cc(CCCBr)c2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 3/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MITF O75030 1/20 0.45
TSHR P16473 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
SCHEMBL9157826 0.95 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL9157942 0.94 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL9154966 0.90 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL4045859 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL29770446 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL9156334 0.83 ALDH1A1 (0.66) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL4665252 0.83 CTSV (0.58) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL9154974 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL9155520 0.80 EGFR (0.55) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL9766051 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMEN1CYP1A2

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-5457099-A Carbostyril derivatives and antiallergic agent SAWAI PHARMACEUTICAL CO., LTD. (JP) 1995-10-10 US disclosed
EP-0577325-A1 Carbostyril derivatives and antiallergic agent SAWAI PHARMACEUTICAL CO., LTD. (JP) 1994-01-05 EP disclosed