SCHEMBL3576432

SCHEMBL3576432

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C2(F)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
F10 P00742 9/20 0.38
LPAR1 Q92633 2/20 0.37
LPAR5 Q9H1C0 1/20 0.37
KLKB1 P03952 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MBTPS1 Q14703 1/20 0.36
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
LPAR2 Q9HBW0 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL3574297 0.90 KDM4E (0.36) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3571182 0.88 C5AR1 (0.41) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3573789 0.87 LMNA (0.41) C5AR1LPAR1LPAR5
SCHEMBL3580019 0.85 LMNA (0.40) C5AR1LPAR1LPAR5
SCHEMBL3580698 0.84 C5AR1 (0.44) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3584209 0.84 C5AR1 (0.45) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3581049 0.84 C5AR1 (0.43) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3584396 0.83 C5AR1 (0.44) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3577159 0.83 C5AR1 (0.42) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3571491 0.83 C5AR1 (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 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