SCHEMBL8768935

SCHEMBL8768935

O=C(O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
GAA P10253 2/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NAMPT P43490 1/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
MYOC Q99972 1/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 1/20 0.44
TGM2 P21980 1/20 0.43

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
SCHEMBL1685320 0.81 MEN1 (0.48) MEN1KMT2AGAANPC1MAPT
SCHEMBL3218655 0.78 KMT2A (0.68) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL1088745 0.78 MEN1 (0.46) MEN1KMT2AGAANPC1MAPT
SCHEMBL1063525 0.77 MEN1 (0.45) MEN1KMT2AGAANPC1MAPT
SCHEMBL5079966 0.74 KMT2A (0.66) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL8649993 0.73 PARL (0.45) MEN1KMT2AGAANPC1MAPT
SCHEMBL1033030 0.73 MMP9 (0.42) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL700858 0.73 KMT2A (0.59) MEN1KMT2AGAANPC1MAPT
SCHEMBL11763994 0.73 KMT2A (0.59) MEN1KMT2AGAANPC1MAPT
SCHEMBL1088019 0.73 MMP9 (0.41) MEN1KMT2AGAANPC1MAPT

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
EP-0466833-B1 PROTEASE INHIBITOR MERCK PATENT GMBH (DE) 1997-09-10 EP disclosed