SCHEMBL28930106

SCHEMBL28930106

Cn1nc(C(F)F)c(C(N)=O)c1-c1ccccc1-c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
POLB P06746 2/20 0.37
PDE10A Q9Y233 1/20 0.33
HSD11B1 P28845 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
CSNK1D P48730 2/20 0.32
CSNK1E P49674 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK13 O15264 1/20 0.32
EIF2AK2 P19525 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 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
SCHEMBL1762881 0.86 CSNK1D (0.41) GRM2POLBPIK3CDPIK3R2PIK3CA
SCHEMBL1762849 0.85 HSD17B10 (0.44) GRM2POLBHSD11B1MAPTCSNK1D
SCHEMBL1762911 0.83 POLB (0.36) GRM2POLBPDE10ACSNK1DCSNK1E
SCHEMBL27708025 0.83 SCN9A (0.40) POLBHSD11B1CSNK1DCSNK1E
SCHEMBL28930107 0.83 POLB (0.41) GRM2POLBPIK3CDPIK3R2PIK3CA
SCHEMBL3232405 0.82 CSNK1D (0.41) POLBCSNK1DCSNK1EHSD17B10PTGER4
SCHEMBL27719734 0.82 SOS1 (0.35) GRM2POLBHSD17B10
SCHEMBL18691186 0.82 POLB (0.35) GRM2POLBCSNK1DCSNK1EHSD17B10
SCHEMBL1763226 0.81 CSNK1E (0.41) POLBPDE10AMAPTCSNK1DCSNK1E
SCHEMBL3329484 0.81 CSNK1D (0.41) GRM2POLBCSNK1DCSNK1EMAPK13

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
CN-113788790-A Aromatic heterocyclic amide derivative and application thereof 华东理工大学 2021-12-14 CN disclosed