SCHEMBL29028699

SCHEMBL29028699

N#CCc1c2ccc(Cl)cc2nn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
BCAT1 P54687 2/20 0.38
FGFR1 P11362 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
NEK2 P51955 1/20 0.36
LIMK1 P53667 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MAT2A P31153 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL29028803 0.89 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2MAPTBCAT1
SCHEMBL29028690 0.84 MAPT (0.39) MAPTBCAT1CHEK1AURKACSNK1A1
SCHEMBL29028696 0.84 CSNK2A1 (0.40) KMT2ASMN1; SMN2MAPTBCAT1CA12
SCHEMBL29028724 0.83 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL29028700 0.83 MPO (0.47) MEN1KMT2ASMN1; SMN2MAPTBCAT1
SCHEMBL30473333 0.83 MPO (0.55) SMN1; SMN2MAPTFGFR1KDM4EMPO
SCHEMBL29028711 0.83 MPO (0.55) SMN1; SMN2MAPTFGFR1KDM4EMPO
SCHEMBL29028776 0.81 MPO (0.42) SMN1; SMN2FGFR1DYRK1AKDM4ENPC1
SCHEMBL29028704 0.76 MEN1 (0.45) MEN1KMT2ASMN1; SMN2MAPTFGFR1
SCHEMBL29028680 0.72 NPC1 (0.43) MEN1KMT2ASMN1; SMN2MAPTKDM4E

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-116332851-A Cyanomethyl phenyl indazole compound and preparation method thereof 河南中医药大学 2023-06-27 CN disclosed