SCHEMBL3579168

SCHEMBL3579168

CNc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.41
LPAR1 Q92633 4/20 0.41
LMNA P02545 3/20 0.41
LPAR5 Q9H1C0 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.38
MPO P05164 1/20 0.38
LPAR2 Q9HBW0 1/20 0.37
C5AR1 P21730 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL3575570 0.94 TRPV1 (0.42) SLC2A1LPAR1LMNALPAR5HPGD
SCHEMBL3577812 0.90 LPAR1 (0.43) SLC2A1LPAR1LPAR5ATMCNR1
SCHEMBL3575609 0.90 LMNA (0.43) SLC2A1LPAR1LMNALPAR5HPGD
SCHEMBL3584461 0.89 LMNA (0.44) SLC2A1LPAR1LMNALPAR5HPGD
SCHEMBL3585679 0.89 LMNA (0.44) SLC2A1LPAR1LMNALPAR5HPGD
SCHEMBL3573413 0.89 LMNA (0.44) SLC2A1LPAR1LMNALPAR5HPGD
SCHEMBL3576939 0.89 SLC2A1 (0.41) SLC2A1LPAR1LMNALPAR5HPGD
SCHEMBL3570210 0.89 FFAR1 (0.46) SLC2A1LPAR1LPAR5
SCHEMBL3581565 0.88 SLC2A1 (0.43) SLC2A1LPAR1LMNALPAR5HPGD
SCHEMBL3577662 0.88 LPAR1 (0.43) LPAR1LMNALPAR5SMN1; SMN2LPAR2

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