SCHEMBL3579273

SCHEMBL3579273

CC(=O)Nc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DCUN1D1 Q96GG9 7/20 0.36
UBE2M P61081 6/20 0.36
MCL1 Q07820 1/20 0.36
HPGD P15428 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CNR1 P21554 1/20 0.35
S1PR1 P21453 1/20 0.35
GRK5 P34947 1/20 0.35
CDK8 P49336 1/20 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
SCHEMBL3578656 0.92 MCL1 (0.37) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3582291 0.89 MCL1 (0.39) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3571214 0.88 CNR1 (0.38) DCUN1D1UBE2MCNR1
SCHEMBL3580976 0.88 MCL1 (0.35) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3577153 0.86 LMNA (0.42) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3584408 0.86 MEN1 (0.39) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL27750941 0.85 MCL1 (0.37) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL27750967 0.84 S1PR1 (0.39) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3571223 0.83 MAPK14 (0.39) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3580975 0.83 S1PR1 (0.34) LMNAMEN1CYP1A2CYP3A4CYP2D6

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