SCHEMBL11100736

SCHEMBL11100736

O=C(O)Cc1sc(-c2ccc(O)cc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.82
KDM4E B2RXH2 4/20 0.82
ALDH1A1 P00352 3/20 0.82
CYP1A2 P05177 1/20 0.82
CYP2C9 P11712 1/20 0.82
HPGD P15428 1/20 0.82
CYP2C19 P33261 1/20 0.82
POLB P06746 1/20 0.68
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
Fentiazac SCHEMBL16196751 0.90 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL1514667 0.90 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
Fentiazac SCHEMBL24355 0.90 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
Fentiazac SCHEMBL5390943 0.89 PTGDR2 (0.97) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13116312 0.88 PTGDR2 (0.81) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2818129 0.85 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11097514 0.85 PTGDR2 (0.64) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11863429 0.84 PTGDR2 (0.74) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9379710 0.84 PTGDR2 (0.73) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11097519 0.83 PTGDR2 (0.79) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037710-B1 THIAZOLE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1984-08-01 EP claimed
US-4385059-A 4-(4-CHLOROPHENYL)-2-(4-HYDROXYPHENYL)THIAZOLE-5-ACETIC ACID JOHN WYETH AND BROTHER LIMITED (GB) 1983-05-24 US claimed
EP-0037710-A1 Thiazole derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-10-14 EP claimed
EP-0037710-B1 THIAZOLE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1984-08-01 EP disclosed
US-4385059-A 4-(4-CHLOROPHENYL)-2-(4-HYDROXYPHENYL)THIAZOLE-5-ACETIC ACID JOHN WYETH AND BROTHER LIMITED (GB) 1983-05-24 US disclosed
US-4356185-A ANTIINFLAMMATORY AGENTS JOHN WYETH & BROTHER LIMITED (GB) 1982-10-26 US disclosed
EP-0037710-A1 Thiazole derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-10-14 EP disclosed