SCHEMBL31331999

SCHEMBL31331999

CC(=O)Nc1ccc(C2CNCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL31437059 0.84 PARP1 (0.38) MAPTNPSR1KMT2ALMNAALDH1A1
SCHEMBL30165832 0.80 ALDH1A1 (0.50) MAPTLMNAALDH1A1PKMPARP1
SCHEMBL30978394 0.77 PDE4D (0.37) KMT2APARP1KDM4E
SCHEMBL29351957 0.76 PARP1 (0.39) MAPTLMNAALDH1A1POLBPARP1
SCHEMBL30910354 0.75 ALDH1A1 (0.39) MAPTLMNAALDH1A1PARP1
SCHEMBL5188507 0.75 MAPT (0.38) MAPTKMT2ALMNAALDH1A1PARP1
SCHEMBL25913721 0.74 DPP4 (0.47) KMT2APARP1MEN1
SCHEMBL3697218 0.74 DPP4 (0.47) KMT2APARP1MEN1
SCHEMBL17303202 0.74 LMNA (0.57) NPSR1KMT2ALMNANPC1ALDH1A1
SCHEMBL1673503 0.73 MEN1 (0.43) MAPTNPSR1KMT2ALMNAALDH1A1

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-119285613-A Substituted quinoxaline and quinazolinone compounds and uses thereof 河南中医药大学 2025-01-10 CN disclosed