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