SCHEMBL9529371

SCHEMBL9529371

CCCCCOc1cc(OC)c(Br)cc1-c1ccc(C#N)c(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
AR P10275 2/20 0.40

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
SCHEMBL9525720 0.83 KDM4E (0.52) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL9702887 0.75 ALDH1A1 (0.43) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL27404855 0.70 ALDH1A1 (0.62) ALDH1A1HPGDAR
SCHEMBL23462738 0.70 ALDH1A1 (0.48) L3MBTL1KDM4EALDH1A1MAPTHPGD
SCHEMBL2469582 0.69 ALDH1A1 (0.64) ALDH1A1HPGDAR
SCHEMBL2465179 0.69 ALDH1A1 (0.64) ALDH1A1HPGDAR
SCHEMBL13851936 0.69 ALDH1A1 (0.64) ALDH1A1HPGDAR
SCHEMBL4604305 0.68 SMPD1 (0.49) L3MBTL1MAPTTDP1HPGD
SCHEMBL13581220 0.68 ALDH1A1 (0.55) ALDH1A1HPGDAR
SCHEMBL16596421 0.67 ALDH1A1 (0.57) ALDH1A1HPGDAR

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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed