SCHEMBL7931387

SCHEMBL7931387

COc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1cc(Cl)ccc1Cc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 8/20 0.76
▸ PTGER4 P35408 4/20 0.76
▸ PTGER1 P34995 3/20 0.76
▸ DRD3 P35462 1/20 0.76
▸ WDR5 P61964 4/20 0.45
▸ MYC P01106 1/20 0.45
▸ PTGER2 P43116 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ ABCC9 O60706 1/20 0.40
▸ ABCC8 Q09428 1/20 0.40
▸ KCNJ11 Q14654 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL7931390 1.00 PTGER3 (0.76) PTGER3PTGER4PTGER1DRD3WDR5
SCHEMBL1061880 0.96 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3WDR5
SCHEMBL1061876 0.96 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3WDR5
SCHEMBL30145373 0.96 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3WDR5
SCHEMBL7928545 0.94 PTGER3 (0.70) PTGER3PTGER4PTGER1DRD3WDR5
SCHEMBL7928549 0.94 PTGER3 (0.70) PTGER3PTGER4PTGER1DRD3WDR5
SCHEMBL7922132 0.92 PTGER3 (0.66) PTGER3PTGER4PTGER1DRD3WDR5
SCHEMBL7922126 0.92 PTGER3 (0.66) PTGER3PTGER4PTGER1DRD3WDR5
SCHEMBL7817269 0.89 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3WDR5
SCHEMBL7817274 0.89 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 — — US disclosed
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