SCHEMBL9488371

SCHEMBL9488371

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
ACHE P22303 3/20 0.42
SNCA P37840 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL9488829 0.92 MEN1 (0.40) MEN1KMT2A
SCHEMBL9489374 0.89 MGAM (0.43) GAAMGAMSIMGAM2ACHE
SCHEMBL9490254 0.88 LMNA (0.39) ACHELMNAROCK2ROCK1CYSLTR2
SCHEMBL9489489 0.86 TDP1 (0.43) GAAMGAMSIMGAM2SNCA
SCHEMBL9488354 0.83
SCHEMBL9490136 0.83 TRPV1 (0.41) GAAACHESNCAMEN1KMT2A
SCHEMBL9488414 0.83 TRPV1 (0.41) GAAACHESNCAMEN1KMT2A
SCHEMBL9488477 0.82 LMNA (0.39) LMNA
SCHEMBL9489442 0.81
SCHEMBL10470034 0.81 MGAM (0.41) GAAMGAMSIMGAM2ACHE

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 5 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 claimed
EP-0337766-A1 Hetera-aliphatic carboxamides ICI AMERICAS INC. (US) 1989-10-18 EP claimed
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