SCHEMBL9957640

SCHEMBL9957640

Cc1cc(N)c(Cl)c(Cl)c1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.37
CRHR1 P34998 2/20 0.36
RCE1 Q9Y256 1/20 0.35
MAPT P10636 1/20 0.35
MLYCD O95822 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
MCL1 Q07820 1/20 0.34
LPAR1 Q92633 5/20 0.34
LPAR5 Q9H1C0 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL9957519 0.92 UTS2R (0.39) C5AR1CRHR1RCE1CA12CA1
SCHEMBL9960423 0.81 LPAR1 (0.55) C5AR1RCE1LPAR1LPAR5LPAR2
SCHEMBL12521064 0.78 C5AR1 (0.45) C5AR1RCE1MLYCDCA12CA1
SCHEMBL3577052 0.77 C5AR1 (0.37) C5AR1RCE1MAPTMLYCDCA12
SCHEMBL27730382 0.75 C5AR1 (0.39) C5AR1RCE1MAPTMLYCDMCL1
SCHEMBL12521151 0.75 LPAR1 (0.40) C5AR1RCE1CA12CA1CA2
SCHEMBL3577159 0.74 C5AR1 (0.42) C5AR1CA12CA1CA2CA4
SCHEMBL27731179 0.74 C5AR1 (0.51) C5AR1RCE1MAPTMLYCDLPAR1
SCHEMBL12521253 0.74 UTS2R (0.40) C5AR1RCE1MAPTLPAR1LPAR5
SCHEMBL9957726 0.73 MLYCD (0.34) CRHR1RCE1MAPTMLYCDMCL1

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