SCHEMBL10851664

SCHEMBL10851664

N#Cc1ccc2oc(Cn3ccnc3)c(Cl)c2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 4/20 0.64
▸ CYP19A1 P11511 11/20 0.54
▸ CYP11B1 P15538 8/20 0.54
▸ CYP11B2 P19099 6/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.47
▸ CYP17A1 P05093 1/20 0.41

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
SCHEMBL10859072 0.86 TBXAS1 (0.64) TBXAS1CYP19A1CYP11B1CYP11B2HRH3
SCHEMBL10854290 0.84 CYP19A1 (0.49) TBXAS1CYP19A1CYP11B1CYP11B2HRH3
SCHEMBL8469750 0.79 CYP19A1 (0.55) TBXAS1CYP19A1CYP11B1CYP11B2HRH3
SCHEMBL10851831 0.78 TBXAS1 (1.00) TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL9843934 0.75 CYP11B1 (0.53) TBXAS1CYP19A1CYP11B1CYP11B2HRH3
SCHEMBL8421944 0.74 LOXL2 (0.38) TBXAS1
SCHEMBL8386239 0.74 CYP2A6 (0.37) TBXAS1
SCHEMBL10640869 0.73 CYP19A1 (0.64) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL771716 0.72 CYP11B1 (1.00) TBXAS1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL10860344 0.71 TBXAS1 (0.64) TBXAS1CYP19A1CYP11B1CYP11B2

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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