SCHEMBL28397332

SCHEMBL28397332

Cc1[nH]c(-c2cccnc2)nc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.74
BRAF P15056 2/20 0.57
MAPK14 Q16539 3/20 0.53
RAF1 P04049 2/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
KMT2A Q03164 1/20 0.49
CYP19A1 P11511 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
STAT1 P42224 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGDS O60760 1/20 0.44
ADORA2A P29274 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
SCHEMBL3141258 0.85 RAF1 (0.63) NPY5RBRAFMAPK14RAF1MAPK13
SCHEMBL31305387 0.85 RAF1 (0.63) NPY5RBRAFMAPK14RAF1MAPK13
SCHEMBL28402852 0.84 NPY5R (0.82) NPY5RBRAFMAPK14RAF1MAPK13
SCHEMBL28402328 0.83 MAPK14 (0.65) NPY5RBRAFMAPK14RAF1MAPK13
SCHEMBL28398004 0.83 MAPK13 (0.77) NPY5RBRAFMAPK14RAF1MAPK13
SCHEMBL28398023 0.82 NPY5R (0.71) NPY5RBRAFKMT2ACYP19A1KDM4E
SCHEMBL3127830 0.82 RAF1 (0.56) NPY5RBRAFMAPK14RAF1MAPK13
SCHEMBL28402826 0.82 NPY5R (0.88) NPY5RMAPK14RAF1MAPK13MAPK12
SCHEMBL28400620 0.81 NPY5R (0.70) NPY5RBRAFKMT2ACYP19A1KDM4E
SCHEMBL28406379 0.80 NPY5R (0.71) NPY5RBRAFKMT2ACYP19A1KDM4E

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