SCHEMBL27730491

SCHEMBL27730491

CN(C#N)c1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.40
LPAR5 Q9H1C0 5/20 0.40
LPAR2 Q9HBW0 1/20 0.40
C5AR1 P21730 1/20 0.39
ATM Q13315 1/20 0.37
GCGR P47871 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
LSS P48449 1/20 0.35
CCR9 P51686 1/20 0.35
NLRP3 Q96P20 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3581905 0.96 NLRP3 (0.40) LPAR1LPAR5LPAR2C5AR1GCGR
SCHEMBL3577892 0.90 SLC2A1 (0.40) LPAR1LPAR5LPAR2C5AR1ATM
SCHEMBL27750937 0.86 C5AR1 (0.40) LPAR1LPAR5LPAR2C5AR1NLRP3
SCHEMBL27750952 0.85 NLRP3 (0.40) LPAR1LPAR2NLRP3
SCHEMBL3576630 0.84 LPAR1 (0.37) LPAR1LPAR5LPAR2C5AR1ATM
SCHEMBL3576449 0.83 LPAR1 (0.39) LPAR1LPAR5LPAR2C5AR1ATM
SCHEMBL3576381 0.83 STAT3 (0.38) LPAR1LPAR5LPAR2ATM
SCHEMBL3581285 0.82 LPAR1 (0.36) LPAR1LPAR5LPAR2C5AR1ATM
SCHEMBL3572707 0.81 CCR9 (0.42) LPAR1LPAR5LPAR2C5AR1ATM
SCHEMBL3579102 0.80 LPAR1 (0.41) LPAR1LPAR5LPAR2C5AR1ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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