SCHEMBL9958528

SCHEMBL9958528

CC(C)c1c(N)cc(Cl)cc1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
C5AR1 P21730 1/20 0.36
MCHR1 Q99705 1/20 0.35
NLRP3 Q96P20 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
RCE1 Q9Y256 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
HSP90AA1 P07900 2/20 0.33
SLC2A1 P11166 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9958175 0.93 F2 (0.39) F2F10F7C5AR1MCHR1
SCHEMBL3584582 0.81 LMNA (0.38) F2F10F7C5AR1MCHR1
SCHEMBL3586383 0.80 NLRP3 (0.39) F2F10F7C5AR1MCHR1
SCHEMBL3574217 0.78 MCHR1 (0.37) F2F10F7C5AR1MCHR1
SCHEMBL12520871 0.76 F2 (0.37) F2F10F7C5AR1MCHR1
SCHEMBL9958121 0.75 LPAR1 (0.43) LPAR1LPAR5SLC2A1
SCHEMBL3570656 0.75 TP53 (0.42) F2F10F7C5AR1MCHR1
SCHEMBL3571491 0.74 C5AR1 (0.42) F10C5AR1CA12CA1CA2
SCHEMBL3582819 0.74 LMNA (0.38) F2F10F7C5AR1MCHR1
SCHEMBL3582155 0.73 F2 (0.42) F2F10F7C5AR1MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed