SCHEMBL29019476

SCHEMBL29019476

CCC(=O)Oc1c(NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL28820760 0.84 PKM (0.47) KMT2ATP53MEN1SMN1; SMN2GAA
SCHEMBL2499152 0.82 HSP90AA1 (0.41) KMT2AALDH1A1
SCHEMBL4730081 0.81 MAPT (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12475202 0.81 POLB (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL28808495 0.81 KMT2A (0.42) KMT2ATP53MEN1NPC1SMN1; SMN2
SCHEMBL6651046 0.81 RXFP1 (0.39) KMT2ARAB9AALDH1A1
SCHEMBL29019451 0.81 RXFP1 (0.41) KMT2ARAB9AGAAALDH1A1MAPT
SCHEMBL1733957 0.80 PDK1 (0.58) KMT2ATP53MEN1NPC1RAB9A
SCHEMBL28875790 0.80 RXFP1 (0.38) KMT2ATP53MEN1NPC1RAB9A
SCHEMBL2149381 0.80 KMT2A (0.41) KMT2ASMN1; SMN2GAAPDK1PDK2

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-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed