SCHEMBL3587697

SCHEMBL3587697

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
F10 P00742 6/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
HSP90AA1 P07900 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
KLKB1 P03952 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NLRP3 Q96P20 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL3586617 0.92 C5AR1 (0.41) C5AR1F10LPAR1LPAR2HSP90AA1
SCHEMBL3577159 0.90 C5AR1 (0.42) C5AR1F10LPAR1LPAR2HSP90AA1
SCHEMBL3584684 0.90 C5AR1 (0.39) C5AR1F10LPAR1LPAR2HSP90AA1
SCHEMBL3581531 0.89 C5AR1 (0.43) C5AR1F10LPAR1HSP90AA1LPAR5
SCHEMBL3579102 0.86 LPAR1 (0.41) C5AR1LPAR1LPAR2LPAR5NLRP3
SCHEMBL3581435 0.86 TP53 (0.41) C5AR1F10LPAR1HSP90AA1LPAR5
SCHEMBL3582819 0.83 LMNA (0.38) C5AR1F10LPAR1LPAR2LPAR5
SCHEMBL3583512 0.83 LMNA (0.41) C5AR1LPAR1LPAR5KMT2ALMNA
SCHEMBL3574141 0.83 LPAR1 (0.41) C5AR1LPAR1LPAR2HSP90AA1LPAR5
SCHEMBL3571491 0.82 C5AR1 (0.42) C5AR1F10LPAR1LPAR2HSP90AA1

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 5 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 claimed
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