SCHEMBL28575929

SCHEMBL28575929

N#Cc1ccc(C(=O)Cl)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
CASP1 P29466 1/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
FBP1 P09467 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NLRP3 Q96P20 1/20 0.36
VCAM1 P19320 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
SCHEMBL4849617 0.82 XDH (0.50) CA1CA2XDHSLC22A12FFAR1
SCHEMBL26690139 0.81 CA1 (0.38) CA1CA2CASP1SLC22A12MEN1
SCHEMBL8757233 0.81 SMN1; SMN2 (0.41) CA1CA2XDHSLC22A12MAPT
SCHEMBL8757223 0.81 CA2 (0.38) CA1CA2FLT1FLT4KDR
SCHEMBL6628485 0.81 FLT1 (0.52) CA1CA2FLT1FLT4KDR
SCHEMBL6834830 0.80 FLT1 (0.37) CA1CA2FLT1FLT4KDR
SCHEMBL17109321 0.79 MEN1 (0.44) CA1CA2FLT1FLT4KDR
SCHEMBL646582 0.79 KMT2A (0.49) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL289547 0.79 LRRK2 (0.44) CA1CA2FLT1FLT4KDR
SCHEMBL21056017 0.77 VCAM1 (0.47) CA1CA2FLT1FLT4KDR

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-108424431-B Preparation method of alpha-uridine 上海兆维科技发展有限公司 2021-04-20 CN disclosed