SCHEMBL9701398

SCHEMBL9701398

CCCCCOc1cc(OC)c(Br)cc1-c1ccc(-c2nnn[nH]2)c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.35
SMPD1 P17405 3/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
PDE5A O76074 3/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX5 P09917 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
SCHEMBL9526401 0.86 PTPN1 (0.36) PTPN1CNR2MEN1KMT2A
SCHEMBL9525805 0.78 CDC7 (0.36) MEN1KMT2A
SCHEMBL9701582 0.78 GCGR (0.39) PDE5AMEN1KMT2A
SCHEMBL9524898 0.77 PDE4A (0.37) PDE5ATHRBMEN1KMT2A
SCHEMBL9700644 0.77 PDE5A (0.38) PDE5AMEN1KMT2A
SCHEMBL9702887 0.77 ALDH1A1 (0.43) PTPN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7644729 0.75 PDE5A (0.47) PDE5AMEN1KMT2A
SCHEMBL9248549 0.74 GAA (0.39) PDE5ACNR2MEN1KMT2A
SCHEMBL9701387 0.74 CYP2C9 (0.47)
SCHEMBL9587677 0.73 PDE4A (0.35) PDE5AMEN1KMT2A

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