SCHEMBL31455781

SCHEMBL31455781

O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.55
PKM P14618 2/20 0.55
TYR P14679 1/20 0.48
SCN2A Q99250 2/20 0.48
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
CASP1 P29466 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
SCHEMBL1835292 1.00 MEN1 (0.55) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL20971731 0.79 MEN1 (0.57) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL1832812 0.77 CA12 (0.60) SCN2AMAPTLMNACA12CA1
SCHEMBL12872248 0.76 PKM (0.45) MEN1KMT2AALDH1A1PKMPOLB
SCHEMBL8276110 0.76 ALDH1A1 (0.61) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL8222291 0.76 MEN1 (0.61) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL1834551 0.76 MEN1 (0.61) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL3578423 0.73 RAB9A (0.52) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL6841652 0.73 ALDH1A1 (0.57) MEN1KMT2AALDH1A1SCN2ACA12
SCHEMBL12185228 0.72 KMT2A (0.56) MEN1KMT2AALDH1A1PKMMAPT

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
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed