SCHEMBL25344103

SCHEMBL25344103

CC(Br)(C(N)=O)c1ccc(Oc2ccccc2C#N)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.45
MAP4K4 O95819 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIN1 Q13526 2/20 0.36
MAPK1 P28482 1/20 0.35
EZH2 Q15910 3/20 0.35
HPGD P15428 1/20 0.34
MAPK14 Q16539 2/20 0.34

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
SCHEMBL29457507 0.75 SYK (0.45) SYKMAP4K4SMN1; SMN2GAAPOLB
SCHEMBL25344922 0.72 BCAT2 (0.53) SYKMAP4K4SMN1; SMN2GAAPOLB
SCHEMBL27211402 0.70 SYK (0.43) SYKMAP4K4SMN1; SMN2GAAPOLB
SCHEMBL30473670 0.70 SYK (0.43) SYKMAP4K4SMN1; SMN2GAAPOLB
SCHEMBL25342784 0.69 MAP4K4 (0.46) SYKMAP4K4SMN1; SMN2GAAPOLB
SCHEMBL13875913 0.68 NPC1 (0.43) MAP4K4SMN1; SMN2GAAPOLBNPC1
SCHEMBL25345885 0.68 PARP15 (0.40)
SCHEMBL13875996 0.65 PIN1 (0.41) SYKMAP4K4SMN1; SMN2GAAPOLB
SCHEMBL28866136 0.65 GAA (0.49) MAP4K4SMN1; SMN2GAAPOLBNPC1
SCHEMBL7689351 0.65 CTNNB1 (0.57) SMN1; SMN2GAAPOLBNPC1RAB9A

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
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed