SCHEMBL9724112

SCHEMBL9724112

CC(c1ccc(Sc2cccc(Cl)c2)s1)N(O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.53
CYP1A2 P05177 2/20 0.48
PTGES O14684 1/20 0.48
LMNA P02545 1/20 0.48
LTA4H P09960 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
ALOX5AP P20292 1/20 0.48
LOX P28300 1/20 0.48
EPHX2 P34913 1/20 0.48
PTGS2 P35354 1/20 0.48
LTB4R Q15722 1/20 0.48

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
SCHEMBL9374053 0.85 ALOX5 (0.61) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9724108 0.83 ALOX5 (0.48) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9477371 0.76 ALOX5 (0.65) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9724161 0.75 KDM4E (0.46)
SCHEMBL9724082 0.74 ALOX5 (0.43) ALOX5
SCHEMBL9474923 0.73 ALOX5 (0.61) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9724113 0.72 KDM4E (0.41) ALOX5
SCHEMBL9724133 0.71 USP7 (0.60)
SCHEMBL11392906 0.69 HSD17B1 (0.52) GAA
SCHEMBL9474152 0.68 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H

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