SCHEMBL31318481

SCHEMBL31318481

COC(=O)c1ccc(-n2ccc(NC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.40
ATR Q13535 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PRMT1 Q99873 1/20 0.34
VCAM1 P19320 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSMB8 P28062 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL31318466 0.91 PSMB8 (0.36) ALDH1A1MAPK1PRMT1CA12CA1
SCHEMBL31318476 0.85 MDM2 (0.41) MAPK1MEN1KMT2AMAPT
SCHEMBL4415459 0.82 ALDH1A1 (0.48) ATRALDH1A1MAPK1MEN1KMT2A
SCHEMBL5558333 0.73 RAB9A (0.44) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL3576370 0.72 ALDH1A1 (0.46) ALDH1A1MAPK1MEN1KMT2APRMT1
SCHEMBL23044897 0.72 MAPT (0.63) SIRT6ALDH1A1MAPK1MEN1KMT2A
SCHEMBL31318468 0.72 MAPT (0.63) SIRT6ALDH1A1MAPK1MEN1KMT2A
SCHEMBL2428605 0.71 VCAM1 (0.56) ALDH1A1MEN1KMT2AVCAM1MAPT
SCHEMBL26614095 0.71 MAPT (0.61) SIRT6ALDH1A1MEN1KMT2AMAPT
SCHEMBL1315221 0.71 TRPV1 (0.42) ATRALDH1A1MEN1KMT2AMAPT

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-119285605-A Quinazolinone-based LSD1 inhibitors 河南中医药大学 2025-01-10 CN disclosed