SCHEMBL3584856

SCHEMBL3584856

CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2c(F)ccc(Cl)c2N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MCL1 Q07820 1/20 0.37
HPGD P15428 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC1 Q13547 1/20 0.37
CNR1 P21554 1/20 0.37
SLC2A1 P11166 1/20 0.37
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL3581012 0.90 HDAC8 (0.37) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3589427 0.88 MCL1 (0.38) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3580675 0.88 LMNA (0.40) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3580861 0.86 MCL1 (0.38) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3574614 0.86 HDAC8 (0.39) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3583601 0.86 LMNA (0.42) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3585062 0.85 LMNA (0.40) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12520997 0.84 TDP1 (0.40) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12521170 0.84 OPRM1 (0.44) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12520942 0.84 TDP1 (0.43) LMNAMEN1KMT2ASMN1; SMN2TDP1

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