SCHEMBL9724097

SCHEMBL9724097

COc1ccc(Sc2ccc(CN(O)C(N)=O)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.41
PTGIR P43119 2/20 0.40
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL9724079 0.83 ALOX5 (0.42) ALOX5ICAM1SELE
SCHEMBL9373997 0.83 ALOX5 (0.54) ALOX5
SCHEMBL9724077 0.78 ALOX5 (0.40) ALOX5ICAM1SELE
SCHEMBL9474486 0.74 ALOX5 (0.46) ALOX5
SCHEMBL9724082 0.74 ALOX5 (0.43) ALOX5PARP1
SCHEMBL9724095 0.73 TP53 (0.40) PTGIRMMP2MMP9MMP12
SCHEMBL9475031 0.73 ALOX5 (0.45) ALOX5
SCHEMBL9724081 0.71 ALOX5 (0.43) ALOX5
SCHEMBL9374059 0.70 ALOX5 (0.46) ALOX5
SCHEMBL11398559 0.70 PKM (0.53) PTGIRICAM1SELECA1CA2

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-5158971-A Antiallergens, antiinflammatory agents LILLY INDUSTRIES LIMITED (GB) 1992-10-27 US disclosed
EP-0459748-A2 Thien-2-yl methylurea derivatives as leukotriene inhibitors LILLY INDUSTRIES LIMITED (GB) 1991-12-04 EP disclosed