SCHEMBL8100231

SCHEMBL8100231

Cc1ccc2nc(-c3cccc(F)c3)cc(=O)n2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
KDM5B Q9UGL1 1/20 0.47
CDC7 O00311 1/20 0.44
PIM1 P11309 1/20 0.44
GSK3B P49841 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 5/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL8099803 0.88 NPC1 (0.51) GRIN1GRIN2AALDH1A1KDM4ERXFP1
SCHEMBL8092460 0.85 GRIN1 (0.55) GRIN1GRIN2AKDM5BALDH1A1KDM4E
SCHEMBL1660663 0.85 NPC1 (0.56) GRIN1GRIN2AALDH1A1KDM4ENPC1
SCHEMBL8102158 0.84 NR1H4 (0.50) GRIN1GRIN2AKDM5BPIM1GSK3B
SCHEMBL8099894 0.82 MEN1 (0.52) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL8102213 0.82 RAD51 (0.56) GRIN1GRIN2AALDH1A1KDM4ERXFP1
SCHEMBL32688368 0.81 ALDH1A3 (0.50) GRIN1GRIN2AALDH1A1KDM4ENPC1
SCHEMBL32688108 0.80 GAA (0.53) GRIN1GRIN2AKDM4ERXFP1PKM
SCHEMBL8099857 0.80 NR1H4 (0.50) GRIN1GRIN2AALDH1A1KDM4ERXFP1
SCHEMBL31365868 0.80 KDM5B (0.50) GRIN1GRIN2AKDM5BCDC7PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100263-A CONTROLLING ANIMAL PESTS OR HARMFUL FUNGI; 2-METHOXYIMINO-2-(2'-(1?-METHYL,1?-(1?'-(6??-(4??'-CHLOROPHENYL) -HEXYLOXYIMINO) ,2?',2?'-DIMETHYLPROPYL))IMINOOXYMETHYL)-PHENYLACETIC ACID MONOMETHYLAMIDE, FOR EXAMPLE BASF AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed