SCHEMBL29397232

SCHEMBL29397232

CSc1cc(Oc2ccnc(NC(C)=O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK14 Q16539 7/20 0.44
BRAF P15056 10/20 0.43
GCK P35557 1/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
SRC P12931 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
MAPK13 O15264 3/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2566864 0.86 SMN1; SMN2 (0.47) MEN1KMT2AMAPK14GCKKDR
SCHEMBL23795609 0.83 HTT (0.49) MEN1KMT2AMAPK14BRAFGCK
SCHEMBL29396629 0.82 KDM4E (0.38) MEN1KMT2AGCKLMNA
SCHEMBL13788542 0.82 HTT (0.56) MEN1KMT2AMAPK14BRAFGCK
SCHEMBL28690813 0.82 NPC1 (0.43) MEN1KMT2AMAPK14BRAFGCK
SCHEMBL28700812 0.81 MAPK14 (0.47) MAPK14BRAFGCKLCKFYN
SCHEMBL2559700 0.81 MAPK14 (0.46) MEN1KMT2AMAPK14BRAFGCK
SCHEMBL29394408 0.79 NOS3 (0.42) MEN1KMT2AMAPK14LMNA
SCHEMBL28706559 0.79 NOS3 (0.42) MEN1KMT2AMAPK14LMNA
SCHEMBL29083255 0.79 MEN1 (0.45) MEN1KMT2AMAPK14BRAFGCK

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-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed