SCHEMBL9700635

SCHEMBL9700635

COc1cc(OC)cc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ FYN P06241 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL9700666 0.89 ALDH1A1 (0.53) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9700651 0.86 MAPT (0.35) GAAALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9700689 0.84 RAB9A (0.33) GAAALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9701708 0.82 PDE3B (0.33) GAAALDH1A1KDM4EHPGDMAPT
SCHEMBL9702672 0.80 KDM4E (0.30) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9702682 0.80 KDM4E (0.30) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9700393 0.80 — —
SCHEMBL9528770 0.79 KDM4E (0.48) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9526113 0.77 MAPT (0.41) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL9251638 0.77 PTGER3 (0.46) —

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
Send feedback