SCHEMBL3584684

SCHEMBL3584684

N#CCNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
LPAR1 Q92633 3/20 0.34
LPAR2 Q9HBW0 1/20 0.34
HSP90AA1 P07900 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
F10 P00742 7/20 0.34
KLKB1 P03952 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
KMT2A Q03164 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
SCHEMBL3587697 0.90 C5AR1 (0.41) C5AR1LPAR1LPAR2HSP90AA1LPAR5
SCHEMBL3577159 0.90 C5AR1 (0.42) C5AR1LPAR1LPAR2HSP90AA1LPAR5
SCHEMBL3576449 0.86 LPAR1 (0.39) C5AR1LPAR1LPAR2LPAR5NLRP3
SCHEMBL3580626 0.83 LMNA (0.40) C5AR1LPAR1LPAR5LMNAKMT2A
SCHEMBL3583345 0.83 C5AR1 (0.40) C5AR1LPAR1LPAR2LPAR5NPC1
SCHEMBL27750937 0.83 C5AR1 (0.40) C5AR1LPAR1LPAR2LPAR5NLRP3
SCHEMBL3581908 0.82 NLRP3 (0.41) C5AR1LPAR1LPAR2LPAR5NLRP3
SCHEMBL3586617 0.82 C5AR1 (0.41) C5AR1LPAR1LPAR2HSP90AA1LPAR5
SCHEMBL3571491 0.82 C5AR1 (0.42) C5AR1LPAR1LPAR2HSP90AA1LPAR5
SCHEMBL3580698 0.82 C5AR1 (0.44) C5AR1ALDH1A1LMNAKMT2A

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