SCHEMBL3577794

SCHEMBL3577794

CN(C#N)c1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR5 Q9H228 1/20 0.36
CCR1 P32246 1/20 0.36
C5AR1 P21730 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC2A1 P11166 1/20 0.35
CNR1 P21554 1/20 0.35
STAT3 P40763 2/20 0.34

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
SCHEMBL3581173 0.97 CCR1 (0.37) LMNAHPGDS1PR1GRK5CDK8
SCHEMBL3576630 0.89 LPAR1 (0.37) C5AR1ATMCNR1STAT3KCNH2
SCHEMBL3577791 0.88 LMNA (0.37) LMNAHPGDS1PR1GRK5CDK8
SCHEMBL3580975 0.87 S1PR1 (0.34) LMNAS1PR1GRK5CDK8S1PR5
SCHEMBL3577892 0.87 SLC2A1 (0.40) LMNAHPGDC5AR1KMT2AMEN1
SCHEMBL27730389 0.87 S1PR1 (0.37) LMNAHPGDS1PR1GRK5CDK8
SCHEMBL3576381 0.86 STAT3 (0.38) ATMCNR1STAT3KCNH2LPAR1
SCHEMBL3577795 0.85 LMNA (0.38) LMNAHPGDS1PR1GRK5CDK8
SCHEMBL3576111 0.84 LMNA (0.41) LMNAHPGDS1PR1GRK5CDK8
SCHEMBL3576623 0.84 LMNA (0.41) LMNAHPGDS1PR1GRK5CDK8

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