SCHEMBL7739665

SCHEMBL7739665

O=C(O)COc1cccc2c1CCCN2CCS(=O)(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL7737197 0.82 PTGIR (0.45) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7737231 0.82 PTGIR (0.56) PTGIRHRH3
SCHEMBL7737307 0.81 PTGIR (0.46) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7736531 0.81 PTGIR (0.56) PTGIRALDH1A1CYP2C19
SCHEMBL7739673 0.81 GRM7 (0.44) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7736514 0.81 PTGIR (0.46) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7737153 0.80 PTGIR (0.47) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7737206 0.79 PTGIR (0.48) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7737097 0.79 PTGIR (0.41) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7736464 0.78 PTGIR (0.46) PTGIRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed