SCHEMBL28400620

SCHEMBL28400620

Cc1[nH]c(-c2cccnc2)nc1-c1c(Cl)cccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.70
ADORA3 P0DMS8 1/20 0.50
KMT2A Q03164 1/20 0.48
BRAF P15056 1/20 0.47
KDM4E B2RXH2 3/20 0.44
LDHA P00338 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGDS O60760 1/20 0.43

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
SCHEMBL28889078 0.85 NPY5R (0.65) NPY5RKMT2ABRAFKDM4ELDHA
SCHEMBL28399043 0.84 MAPK13 (0.51) NPY5RBRAF
SCHEMBL3133102 0.84 NPY5R (0.55) NPY5RMAPTHPGDS
SCHEMBL28402852 0.83 NPY5R (0.82) NPY5RKMT2ABRAFKDM4ELDHA
SCHEMBL28400755 0.82 BRAF (0.58) NPY5RBRAFKDM4ELDHAEPHX2
SCHEMBL28397332 0.81 NPY5R (0.74) NPY5RKMT2ABRAFKDM4ELDHA
SCHEMBL28402826 0.81 NPY5R (0.88) NPY5RKMT2AKDM4ELDHAEPHX2
SCHEMBL28398023 0.79 NPY5R (0.71) NPY5RKMT2ABRAFKDM4ELDHA
SCHEMBL28406379 0.79 NPY5R (0.71) NPY5RKMT2ABRAFKDM4ELDHA
Fr-79620 SCHEMBL7370865 0.78 NPY5R (1.00) NPY5RKMT2AKDM4ELDHAEPHX2

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-111057043-A Imidazole compound, preparation method and application thereof, organic weldable protective agent containing imidazole compound and surface treatment method 深圳市贝加电子材料有限公司 2020-04-24 CN claimed