SCHEMBL31375129

SCHEMBL31375129

NC(=O)OCc1ccccc1[N+](=O)[O-].O=C(O)NCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
MAOB P27338 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 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
SCHEMBL30605656 0.88 MAOB (0.54) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL37410 0.88 MAOB (0.54) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL1252918 0.86 KMT2A (0.64) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6121074 0.82 NPC1 (0.53) KMT2ANPC1RAB9AMEN1SMN1; SMN2
Phenylacetic Acid SCHEMBL11795869 0.81 MAOB (0.45) KMT2ANPC1RAB9AMEN1SMN1; SMN2
Tromethamine SCHEMBL15321748 0.79 MAOB (0.49) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL10341802 0.79 NPC1 (0.58) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL602068 0.77 MAOB (0.55) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL602067 0.77 MAOB (0.55) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL4444551 0.77 MAOB (0.49) KMT2ANPC1RAB9AMEN1SMN1; SMN2

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-119451974-A Cyclic peptides having antibacterial activity against Multiple Drug Resistant (MDR) pathogens 巴塞罗那全球健康研究所私人基金会 2025-02-14 CN disclosed