SCHEMBL9489374

SCHEMBL9489374

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
NR3C1 P04150 1/20 0.39
CYSLTR2 Q9NS75 6/20 0.38
CYSLTR1 Q9Y271 6/20 0.38
ACHE P22303 1/20 0.36
CPT1A P50416 1/20 0.36
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 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
SCHEMBL9489442 0.92
SCHEMBL9488371 0.89 GAA (0.43) MGAMGAASIMGAM2CYSLTR2
SCHEMBL9491500 0.88 CYSLTR2 (0.38) MGAMGAASIMGAM2CYSLTR2
SCHEMBL9488888 0.83 ACACB (0.39) ROCK2ROCK1
SCHEMBL9488351 0.83 ACACB (0.39) ACHEROCK2ROCK1
SCHEMBL9489984 0.82 PLA2G4A (0.37)
SCHEMBL9488829 0.81 MEN1 (0.40)
SCHEMBL9528078 0.79 CYSLTR2 (0.41) MGAMGAASIMGAM2CYSLTR2
SCHEMBL10470034 0.78 MGAM (0.41) MGAMGAASIMGAM2CYSLTR2
SCHEMBL9489489 0.78 TDP1 (0.43) MGAMGAASIMGAM2

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