SCHEMBL3583457

SCHEMBL3583457

CCNc1ccc(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 2/20 0.39
HPGD P15428 1/20 0.39
CCR1 P32246 4/20 0.38
STAT3 P40763 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
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CNR1 P21554 1/20 0.36
S1PR1 P21453 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR5 Q9H228 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
SCHEMBL3584132 0.98 LMNA (0.39) LMNAHPGDCCR1STAT3MEN1
SCHEMBL3577493 0.97 LMNA (0.40) LMNAHPGDCCR1MEN1CYP1A2
SCHEMBL3569717 0.92 LMNA (0.40) LMNAHPGDCCR1STAT3MEN1
SCHEMBL3581174 0.92 LMNA (0.37) LMNAHPGDCCR1STAT3MEN1
SCHEMBL3586635 0.91 LMNA (0.39) LMNAHPGDCCR1STAT3MEN1
SCHEMBL3583400 0.89 LMNA (0.39) LMNAHPGDCCR1STAT3MEN1
SCHEMBL3581310 0.89 SERPINE1 (0.35) CCR1CYP3A4CYP2D6C5AR1SERPINE1
SCHEMBL3576623 0.89 LMNA (0.41) LMNAHPGDCCR1MEN1CYP1A2
SCHEMBL3574145 0.89 SCN9A (0.39) STAT3ATMCNR1
SCHEMBL3577795 0.88 LMNA (0.38) LMNAHPGDCCR1STAT3MEN1

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