SCHEMBL3573023

SCHEMBL3573023

CC(=O)Nc1c(F)cc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)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
HDAC8 Q9BY41 3/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 1/20 0.39
ATM Q13315 1/20 0.39
CNR1 P21554 1/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC11 Q96DB2 2/20 0.38
PLA2G1B P04054 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL3584266 0.92 HDAC8 (0.40) LMNAHPGDHDAC8HDAC1MEN1
SCHEMBL3583601 0.87 LMNA (0.42) LMNAHPGDHDAC8HDAC1MEN1
SCHEMBL3578904 0.86 LMNA (0.44) LMNAHPGDHDAC8HDAC1MEN1
SCHEMBL12521079 0.86 LMNA (0.44) LMNAHPGDHDAC8HDAC1MEN1
SCHEMBL12521286 0.84 LMNA (0.51) LMNAHPGDHDAC8HDAC1MEN1
SCHEMBL3586114 0.84 LMNA (0.41) LMNAHPGDHDAC8HDAC1MEN1
SCHEMBL12521085 0.84 HDAC8 (0.42) LMNAHDAC8HDAC1MEN1KMT2A
SCHEMBL12521133 0.83 LMNA (0.41) LMNAHPGDHDAC8HDAC1MEN1
SCHEMBL12521170 0.83 OPRM1 (0.44) LMNAHPGDHDAC8HDAC1MEN1
SCHEMBL12521103 0.83 LMNA (0.40) LMNAHPGDHDAC8HDAC1MEN1

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