SCHEMBL9702887

SCHEMBL9702887

CCCCCOc1cc(OC)c(Br)cc1-c1ccc(C#N)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
AR P10275 2/20 0.40
PTPN1 P18031 1/20 0.38
PIM1 P11309 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 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
SCHEMBL9525541 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7646373 0.77 L3MBTL1 (0.54) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7647544 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9701398 0.77 PTPN1 (0.35) PTPN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7646385 0.76 PDE5A (0.44) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9529371 0.75 L3MBTL1 (0.46) ALDH1A1KDM4EGAAL3MBTL1HPGD
SCHEMBL9525981 0.75 KDM4E (0.48) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7646452 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9526882 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7576593 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EGLAGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed