SCHEMBL9701387

SCHEMBL9701387

CCCCOc1ccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.47
CYP2C19 P33261 7/20 0.47
CYP2D6 P10635 7/20 0.47
CYP3A4 P08684 7/20 0.47
CYP1A2 P05177 6/20 0.47
CYP19A1 P11511 5/20 0.47
GPR84 Q9NQS5 1/20 0.45
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
XDH P47989 1/20 0.40
LMNA P02545 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MOGAT2 Q3SYC2 2/20 0.38
ALPL P05186 1/20 0.37

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
SCHEMBL9701474 0.95 CYP1A2 (0.41) CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2
SCHEMBL9701382 0.88 SMN1; SMN2 (0.42) CYP2C9CYP2C19CYP2D6CYP1A2CYP19A1
SCHEMBL9700689 0.85 RAB9A (0.33) CYP1A2GPR84XDHLMNAHPGD
SCHEMBL9526113 0.82 MAPT (0.41) CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2
SCHEMBL9701582 0.81 GCGR (0.39) CYP2C9CYP1A2LMNAHPGDSMN1; SMN2
SCHEMBL9700644 0.80 PDE5A (0.38) CYP1A2LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL9700651 0.80 MAPT (0.35) CYP2C9XDHLMNAHPGDRAB9A
SCHEMBL9526401 0.80 PTPN1 (0.36) CYP2C9LMNASMN1; SMN2MOGAT2
SCHEMBL18778799 0.80 MOGAT2 (0.57) CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2
SCHEMBL6954855 0.79 CYP2D6 (0.56) CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2

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