SCHEMBL3577892

SCHEMBL3577892

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.40
SERPINE1 P05121 1/20 0.40
LPAR1 Q92633 6/20 0.39
LPAR5 Q9H1C0 4/20 0.39
TRPV1 Q8NER1 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
VNN1 O95497 1/20 0.36
C5AR1 P21730 1/20 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
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL27730491 0.90 LPAR1 (0.40) LPAR1LPAR5TRPV1LPAR2C5AR1
SCHEMBL3581905 0.88 NLRP3 (0.40) SLC2A1LPAR1LPAR5LPAR2C5AR1
SCHEMBL3577794 0.87 LMNA (0.37) SLC2A1LPAR1LPAR5LMNAHPGD
SCHEMBL3581173 0.85 CCR1 (0.37) SLC2A1LPAR1LPAR2LMNAHPGD
SCHEMBL3577894 0.85 TRPV1 (0.40) SLC2A1SERPINE1LPAR1LPAR5TRPV1
SCHEMBL3576630 0.85 LPAR1 (0.37) LPAR1LPAR5LPAR2C5AR1ATM
SCHEMBL3575570 0.84 TRPV1 (0.42) SLC2A1SERPINE1LPAR1LPAR5TRPV1
SCHEMBL3576381 0.83 STAT3 (0.38) LPAR1LPAR5LPAR2ATMCNR1
SCHEMBL3581285 0.83 LPAR1 (0.36) LPAR1LPAR5LPAR2C5AR1ATM
SCHEMBL3581190 0.82 TRPV1 (0.41) SLC2A1SERPINE1LPAR1LPAR5TRPV1

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