SCHEMBL7513823

SCHEMBL7513823

COC(=O)[C@@H](NCCc1ccccc1)c1ccc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
PKM P14618 3/20 0.59
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 7/20 0.46
MEN1 O00255 2/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL7514556 0.76 KMT2A (0.43) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL7519497 0.74 KMT2A (1.00) KMT2APKMNPC1MAPTMEN1
SCHEMBL7513811 0.73 ITGA4 (0.51) KMT2APKMALDH1A1
SCHEMBL7513160 0.71 MYC (0.47) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL23442159 0.68 PRSS1 (0.62) KMT2APKMNPC1RAB9AMAPT
SCHEMBL7733774 0.68 MAPT (0.55) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL7733778 0.68 MAPT (0.55) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL8482486 0.68 ALDH1A1 (0.62) KMT2APKMMAPTMEN1SMN1; SMN2
SCHEMBL28571281 0.67 NPC1 (0.43) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL11280733 0.67 KMT2A (0.56) KMT2APKMNPC1RAB9AMAPT

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
US-20020032262-A1 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds ZHANG JINFANG (US) 2002-03-14 US disclosed