SCHEMBL10854889

SCHEMBL10854889

Cc1c(Cn2ccnc2)sc2cc(C#N)ccc12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 10/20 0.64
▸ CYP19A1 P11511 7/20 0.51
▸ CYP11B1 P15538 5/20 0.51
▸ CYP11B2 P19099 3/20 0.51

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
SCHEMBL10860344 0.86 TBXAS1 (0.64) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL10858078 0.81 TBXAS1 (0.67) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL10855281 0.78 TBXAS1 (1.00) TBXAS1
SCHEMBL17341212 0.75 CYP2A6 (0.39) TBXAS1
SCHEMBL10856339 0.73 CYP19A1 (0.67) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL10854472 0.71 AR (0.41) CYP19A1CYP11B1CYP11B2
SCHEMBL149467 0.71 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL10853833 0.70 TBXAS1 (0.98) TBXAS1
SCHEMBL771716 0.69 CYP11B1 (1.00) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL13730381 0.68 ALDH1A1 (0.39) —

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
Send feedback