SCHEMBL9490254

SCHEMBL9490254

COc1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)ccc1C(C)c1c(Cl)[nH]c2ccc(CCNC(=O)N(C)C)cc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYSLTR1 Q9Y271 6/20 0.38
CYSLTR2 Q9NS75 5/20 0.38
MAPT P10636 3/20 0.38
PTGER4 P35408 1/20 0.37
PTGER1 P34995 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL9488477 0.94 LMNA (0.39) LMNAMAPT
SCHEMBL9491500 0.89 CYSLTR2 (0.38) CYSLTR1CYSLTR2ROCK2ROCK1
SCHEMBL9488371 0.88 GAA (0.43) LMNACYSLTR1CYSLTR2ROCK2ROCK1
SCHEMBL9491065 0.85
SCHEMBL9490127 0.85 MAPT (0.41) LMNAMAPTALDH1A1
SCHEMBL9490190 0.85 MAPT (0.41) LMNAMAPTALDH1A1
SCHEMBL9489984 0.83 PLA2G4A (0.37)
SCHEMBL9488829 0.81 MEN1 (0.40)
SCHEMBL9528727 0.80 CYSLTR2 (0.42) CYSLTR1CYSLTR2MAPT
SCHEMBL9488283 0.78 PLA2G4A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337766-B1 HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICAS INC. (US) 1993-03-10 EP disclosed
US-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed
EP-0337766-A1 Hetera-aliphatic carboxamides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed