SCHEMBL3577159

SCHEMBL3577159

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
LPAR1 Q92633 3/20 0.37
LPAR2 Q9HBW0 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
F10 P00742 8/20 0.36
KLKB1 P03952 1/20 0.36
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL3571491 0.92 C5AR1 (0.42) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3580698 0.92 C5AR1 (0.44) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3587697 0.90 C5AR1 (0.41) C5AR1KDM4EALDH1A1GAALPAR1
SCHEMBL3584684 0.90 C5AR1 (0.39) C5AR1ALDH1A1LPAR1LPAR2LPAR5
SCHEMBL3584396 0.89 C5AR1 (0.44) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3574969 0.88 C5AR1 (0.39) C5AR1LPAR1LPAR5F10KLKB1
SCHEMBL3571528 0.87 TP53 (0.41) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3586383 0.87 NLRP3 (0.39) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3569329 0.85 C5AR1 (0.41) C5AR1F10KLKB1KMT2A
SCHEMBL3572707 0.85 CCR9 (0.42) C5AR1KDM4EALDH1A1GLAGAA

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