SCHEMBL3574969

SCHEMBL3574969

CNc1cnc(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 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
F10 P00742 9/20 0.34
KLKB1 P03952 1/20 0.34
KMT2A Q03164 2/20 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
MLYCD O95822 1/20 0.33
MEN1 O00255 1/20 0.33
SLC2A1 P11166 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
HSP90AA1 P07900 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 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
SCHEMBL3577889 0.93 C5AR1 (0.39) C5AR1F10KLKB1KMT2ACA12
SCHEMBL3580029 0.91 MLYCD (0.34) C5AR1MLYCDHSP90AA1
SCHEMBL3575504 0.89 SLC2A1 (0.38) KMT2AMEN1SLC2A1
SCHEMBL3577159 0.88 C5AR1 (0.42) C5AR1F10KLKB1KMT2ACA12
SCHEMBL3569329 0.85 C5AR1 (0.41) C5AR1F10KLKB1KMT2AMLYCD
SCHEMBL3581176 0.82 SLC2A1 (0.38) KMT2AMEN1SLC2A1
SCHEMBL3579370 0.81 SLC2A1 (0.39) KMT2AMEN1SLC2A1
SCHEMBL3574044 0.81 NR1H4 (0.37) HSP90AA1
SCHEMBL3587697 0.80 C5AR1 (0.41) C5AR1F10KLKB1KMT2ACA12
SCHEMBL3571491 0.80 C5AR1 (0.42) C5AR1F10KLKB1CA12CA1

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