SCHEMBL3586114

SCHEMBL3586114

CC(=O)Nc1c(Cl)cc(Cl)c(F)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HDAC8 Q9BY41 2/20 0.37
HDAC1 Q13547 1/20 0.37
CNR1 P21554 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC11 Q96DB2 1/20 0.37
MCL1 Q07820 1/20 0.36
HPGD P15428 1/20 0.36
SLC2A1 P11166 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL3583601 0.91 LMNA (0.42) LMNASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL3584408 0.89 MEN1 (0.39) LMNASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL3576028 0.88 MCL1 (0.39) LMNASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL3574236 0.86 LMNA (0.40) LMNASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL3581012 0.86 HDAC8 (0.37) LMNASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL3582291 0.85 MCL1 (0.39) LMNASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL3573023 0.84 LMNA (0.39) LMNASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL12521229 0.84 SLC2A1 (0.43) HDAC8HDAC1CNR1HDAC6HDAC11
SCHEMBL3583628 0.83 MCL1 (0.40) LMNASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL3589427 0.82 MCL1 (0.38) LMNASMN1; SMN2MEN1CYP1A2CYP3A4

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