SCHEMBL9702672

SCHEMBL9702672

C/C=C/c1cc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)cc(/C=C/C)c1OC

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9702682 1.00 KDM4E (0.30) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9529511 0.92 PDE7A (0.30)
SCHEMBL9701414 0.91
SCHEMBL9701425 0.91
SCHEMBL9526087 0.87 ALOX5 (0.36) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9526095 0.87 ALOX5 (0.36) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9700635 0.80 GAA (0.39) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701433 0.80 PDE5A (0.33) KDM4EALDH1A1
SCHEMBL9701439 0.80 PDE5A (0.33) KDM4EALDH1A1
SCHEMBL9700666 0.75 ALDH1A1 (0.53) KDM4EALDH1A1GLAGAAL3MBTL1

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