SCHEMBL3574431

SCHEMBL3574431

CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2c(NS(C)(=O)=O)ccc(Cl)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.43
NR3C1 P04150 2/20 0.43
RCE1 Q9Y256 1/20 0.38

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
SCHEMBL3581360 0.90 MCL1 (0.40) MCL1
SCHEMBL3582291 0.88 MCL1 (0.39) MCL1
SCHEMBL3577275 0.88 MCL1 (0.39) MCL1
SCHEMBL3578417 0.87 MCL1 (0.38) MCL1
SCHEMBL3586188 0.86 NR3C1 (0.43) NR3C1
SCHEMBL3571223 0.85 MAPK14 (0.39) MCL1
SCHEMBL3580861 0.85 MCL1 (0.38) MCL1RCE1
SCHEMBL3583628 0.83 MCL1 (0.40) MCL1
SCHEMBL3576028 0.82 MCL1 (0.39) MCL1
SCHEMBL12521053 0.81 TACR1 (0.41)

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed