SCHEMBL9724079

SCHEMBL9724079

NC(=O)N(O)Cc1ccc(Sc2ccc(Cl)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.42
NR1D1 P20393 1/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
HRH1 P35367 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9373997 0.86 ALOX5 (0.54) ALOX5
SCHEMBL9724077 0.86 ALOX5 (0.40) ALOX5ICAM1SELE
SCHEMBL9724082 0.85 ALOX5 (0.43) ALOX5
SCHEMBL9724097 0.83 ALOX5 (0.41) ALOX5ICAM1SELE
SCHEMBL9539694 0.82 RAB9A (0.39) ALOX5ICAM1SELEHTT
SCHEMBL9724081 0.79 ALOX5 (0.43) ALOX5MAPTNPSR1
SCHEMBL28649609 0.78 ICAM1 (0.39) ICAM1SELEMAPTHTTSMN1; SMN2
SCHEMBL9373230 0.75 ALDH1A1 (0.53) ALOX5HTTSMN1; SMN2
SCHEMBL9538802 0.75 RHEB (0.39) ICAM1SELEMAPTHTTSMN1; SMN2
SCHEMBL9474486 0.74 ALOX5 (0.46) ALOX5

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