SCHEMBL10856578

SCHEMBL10856578

Cc1c(Cc2cccnc2)sc2cc(C(=O)O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 12/20 0.56
▸ CSNK2A1 P68400 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40

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
SCHEMBL145411 0.91 TBXAS1 (0.56) TBXAS1CSNK2A1
SCHEMBL10851841 0.81 TBXAS1 (0.46) TBXAS1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL10859377 0.81 PTGFR (0.39) TBXAS1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL10953675 0.78 TBXAS1 (0.57) TBXAS1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL10854472 0.78 AR (0.41) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8595302 0.76 CLK1 (0.41) TBXAS1NAPRT
SCHEMBL10855300 0.74 TBXAS1 (0.54) TBXAS1HPGD
SCHEMBL10531061 0.74 TBXAS1 (0.53) TBXAS1CSNK2A1NAPRT
SCHEMBL10859386 0.73 HTT (0.42) TBXAS1CYP1A2CYP3A4CYP2C9PKM
SCHEMBL10852442 0.72 TBXAS1 (0.54) TBXAS1CSNK2A1NAPRT

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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