SCHEMBL29868045

SCHEMBL29868045

NC(=O)c1ccc(NCC(O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
PKM P14618 1/20 0.64
MAPT P10636 6/20 0.56
LMNA P02545 4/20 0.56
GAA P10253 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
MEN1 O00255 2/20 0.52
HCAR3 P49019 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PRSS1 P07477 3/20 0.48
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL29868057 1.00 KMT2A (0.64) KMT2APKMMAPTLMNAGAA
SCHEMBL400483 0.90 HCAR3 (0.62) KMT2APKMMAPTMEN1HCAR3
SCHEMBL29868260 0.81 BCAT2 (0.50) KMT2APKMMAPTGAASMN1; SMN2
SCHEMBL29868448 0.81 BCAT2 (0.50) KMT2APKMMAPTGAASMN1; SMN2
SCHEMBL10225877 0.81 MAPT (0.50) KMT2AMAPTLMNAGAAMEN1
SCHEMBL29513025 0.79 KMT2A (0.76) KMT2APKMMAPTLMNAGAA
SCHEMBL22121276 0.78 KMT2A (0.67) KMT2APKMMAPTLMNAGAA
SCHEMBL7519497 0.78 KMT2A (1.00) KMT2APKMMAPTLMNAGAA
SCHEMBL6264237 0.78 BDKRB1 (0.47) KMT2APKMMAPTMEN1HCAR3
SCHEMBL6264244 0.78 BDKRB1 (0.47) KMT2APKMMAPTMEN1HCAR3

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
WO-2022177307-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT 한국화학연구원 2022-08-25 WO disclosed