SCHEMBL9526095

SCHEMBL9526095

CC=Cc1cc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)ccc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HMGCR P04035 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
TLR9 Q9NR96 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 3/20 0.31
THRB P10828 1/20 0.31
PIM1 P11309 1/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31

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
SCHEMBL9526087 1.00 ALOX5 (0.36) ALOX5GABRA1GABRB2HMGCRCYP3A4
SCHEMBL9701433 0.88 PDE5A (0.33) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL9701439 0.88 PDE5A (0.33) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL9702672 0.87 KDM4E (0.30) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9702682 0.87 KDM4E (0.30) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701425 0.81
SCHEMBL9701414 0.81
SCHEMBL9529511 0.80 PDE7A (0.30)
SCHEMBL9524898 0.78 PDE4A (0.37) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL9700632 0.78 PDE4B (0.35) KMT2AMEN1KDM4EGAAMAPT

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 3 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 claimed
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