SCHEMBL10854472

SCHEMBL10854472

Cc1c(Cc2cccnc2)sc2cc(C#N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.41
▸ PDE5A O76074 1/20 0.39
▸ CYP11B2 P19099 4/20 0.38
▸ CYP11B1 P15538 3/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ CYP3A4 P08684 6/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ CYP1A2 P05177 5/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ CYP2C19 P33261 4/20 0.36
▸ CLK4 Q9HAZ1 4/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ ALOX15 P16050 2/20 0.36

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
SCHEMBL10858213 0.91 AR (0.41) ARPDE5ACYP11B2CYP11B1CYP17A1
SCHEMBL10859377 0.81 PTGFR (0.39) CYP3A4HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL10856578 0.78 TBXAS1 (0.56) CYP3A4HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL17341212 0.75 CYP2A6 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL10859386 0.74 HTT (0.42) CYP3A4ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL10857893 0.73 CYP11B2 (0.46) ARPDE5ACYP11B2CYP11B1CYP17A1
SCHEMBL10857619 0.72 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL10854889 0.71 TBXAS1 (0.64) CYP11B2CYP11B1CYP19A1
SCHEMBL10857150 0.71 MTNR1A (0.44) ARPDE5ACYP11B2CYP11B1CYP17A1
SCHEMBL171388 0.70 HRH3 (0.57) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0073663-B1 THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Limited (GB) 1986-06-18 — — EP disclosed
US-4590200-A NON-INHIBITION OF PROSTACYCLIN SYNTHETASE OR CYCLO-OXYGENASE PFIZER INC. (US) 1986-05-20 — — US disclosed
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 — — US disclosed
EP-0073663-A2 Thromboxane synthetase inhibitors, processes for their production, and pharmaceutical compositions comprising them Pfizer Limited (GB) 1983-03-09 — — EP disclosed
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