SCHEMBL10851846

SCHEMBL10851846

O=C(O)c1ccc2oc(Cc3ncc[nH]3)c(Cl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 4/20 0.54
▸ TTR P02766 6/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TLK2 Q86UE8 1/20 0.33
▸ HTR1A P08908 1/20 0.33

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
SCHEMBL10861351 0.86 TBXAS1 (0.54) TBXAS1TTRTAAR1KDM4EALDH1A1
SCHEMBL10855599 0.84 TAAR1 (0.42) TBXAS1TTRTAAR1KDM4EALDH1A1
SCHEMBL10851678 0.78 TAAR1 (0.38) TBXAS1TAAR1HTR1A
SCHEMBL10852177 0.74 KDM4E (0.43) TBXAS1TAAR1KDM4EALDH1A1GAA
SCHEMBL11118554 0.74 TAAR1 (0.47) TBXAS1TAAR1KDM4EALDH1A1GAA
SCHEMBL10861551 0.72 TBXAS1 (0.54) TBXAS1TAAR1KDM4EALDH1A1GAA
SCHEMBL10856277 0.71 ADRA2A (0.44) TBXAS1TAAR1KDM4EALDH1A1GAA
SCHEMBL10851831 0.70 TBXAS1 (1.00) TBXAS1
SCHEMBL28067592 0.70 KDM4E (0.44) TBXAS1TAAR1KDM4EALDH1A1GAA
SCHEMBL10531244 0.69 TAAR1 (0.50) TBXAS1TAAR1KDM4EALDH1A1GAA

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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