SCHEMBL3586635

SCHEMBL3586635

CC(C)Nc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR1 P32246 3/20 0.38
PTGES O14684 2/20 0.37
STAT3 P40763 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PLA2G1B P04054 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATG4B Q9Y4P1 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
SCHEMBL3583400 0.98 LMNA (0.39) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3569717 0.92 LMNA (0.40) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3583457 0.91 LMNA (0.39) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3584132 0.89 LMNA (0.39) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3576623 0.89 LMNA (0.41) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3581174 0.89 LMNA (0.37) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3571486 0.88 LMNA (0.41) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3577493 0.87 LMNA (0.40) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3577153 0.87 LMNA (0.42) LMNAHPGDMEN1CYP1A2CYP3A4
SCHEMBL3575259 0.87 LMNA (0.41) LMNAHPGDMEN1CYP1A2CYP3A4

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 4 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
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed