SCHEMBL28583121

SCHEMBL28583121

CN([C@H](Cc1ccccn1)C(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PTPRA P18433 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.41
ALKBH2 Q6NS38 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
ALKBH3 Q96Q83 1/20 0.41
FTO Q9C0B1 1/20 0.41
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL16058321 0.80 ADAMTS5 (0.52) MEN1KMT2APTPRAADAMTS5HSD17B10
SCHEMBL21885547 0.80 ADAMTS5 (0.52) MEN1KMT2APTPRAADAMTS5HSD17B10
SCHEMBL32668282 0.79 MEN1 (0.54) MEN1KMT2ANPSR1
Bromide SCHEMBL29831731 0.79 ADAMTS5 (0.51) MEN1KMT2APTPRAADAMTS5HSD17B10
SCHEMBL5693309 0.73 KMT2A (0.54) MEN1KMT2ANPSR1
SCHEMBL29182363 0.72 MEN1 (0.46) MEN1KMT2ANPSR1
SCHEMBL25227152 0.72 KMT2A (0.56) MEN1KMT2ANPSR1
SCHEMBL25277181 0.72 KMT2A (0.56) MEN1KMT2ANPSR1
SCHEMBL21837591 0.72 MEN1 (0.46) MEN1KMT2ANPSR1
SCHEMBL21837408 0.72 MEN1 (0.46) MEN1KMT2ANPSR1

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-107709301-B Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2021-06-22 CN disclosed