SCHEMBL10855358

SCHEMBL10855358

Clc1c(Cn2ccnc2)sc2cc(Br)ccc12

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 8/20 0.67
▸ CYP11B1 P15538 6/20 0.51
▸ CYP11B2 P19099 5/20 0.51
▸ CYP19A1 P11511 3/20 0.51
▸ ADRA2C P18825 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42

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
SCHEMBL10858078 0.85 TBXAS1 (0.67) TBXAS1CYP11B1CYP11B2CYP19A1ADRA2C
SCHEMBL10860344 0.81 TBXAS1 (0.64) TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL10861539 0.81 TBXAS1 (1.00) TBXAS1CYP19A1
SCHEMBL10584615 0.73 ASIC3 (0.41) TBXAS1KDM4EALDH1A1LMNACYP2A6
SCHEMBL10855114 0.71 ASIC3 (0.40) TBXAS1KDM4EALDH1A1MAPK1LMNA
SCHEMBL10853495 0.71 TBXAS1 (0.78) TBXAS1CYP19A1KDM4EMAPK1
SCHEMBL11217390 0.70 ASIC3 (0.39) TBXAS1
SCHEMBL707075 0.69 CYP11B1 (1.00) TBXAS1CYP11B1CYP11B2CYP19A1ADRA2C
Hydrochloric Acid SCHEMBL10465963 0.68 CYP11B1 (0.49) TBXAS1CYP11B1CYP11B2CYP19A1ADRA2C
SCHEMBL10854889 0.67 TBXAS1 (0.64) TBXAS1CYP11B1CYP11B2CYP19A1

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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