SCHEMBL3577957

SCHEMBL3577957

CCNc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
VNN1 O95497 1/20 0.35
DHODH Q02127 1/20 0.35
CNR1 P21554 1/20 0.35
RORC P51449 2/20 0.35
MPO P05164 1/20 0.35
SCN9A Q15858 3/20 0.34
HSPH1 Q92598 1/20 0.34
S1PR1 P21453 1/20 0.33
GRK5 P34947 1/20 0.33
CDK8 P49336 1/20 0.33
S1PR5 Q9H228 1/20 0.33
KLKB1 P03952 1/20 0.33

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
SCHEMBL3577493 0.90 LMNA (0.40) LMNAHPGDCNR1MPOHSPH1
SCHEMBL3584132 0.87 LMNA (0.39) LMNAHPGDCNR1MPOS1PR1
SCHEMBL3583457 0.87 LMNA (0.39) LMNAHPGDCNR1MPOHSPH1
SCHEMBL3577580 0.86 LMNA (0.38) LMNAHPGDCNR1MPOHSPH1
SCHEMBL3576637 0.84 LMNA (0.41) LMNAHPGDCNR1MPOSCN9A
SCHEMBL9957466 0.84 RORC (0.35) LMNAHPGDCNR1RORCS1PR1
SCHEMBL3576623 0.82 LMNA (0.41) LMNAHPGDCNR1MPOHSPH1
SCHEMBL3577795 0.82 LMNA (0.38) LMNAHPGDCNR1MPOHSPH1
SCHEMBL3577153 0.81 LMNA (0.42) LMNAHPGDCNR1MPOSCN9A
SCHEMBL3574585 0.80 LMNA (0.42) LMNAHPGDCNR1S1PR1GRK5

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