SCHEMBL31455662

SCHEMBL31455662

CC(C)(C)OC(=O)NCc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CXCR4 P61073 1/20 0.41
ALOX5 P09917 1/20 0.40
KDM6B O15054 1/20 0.40

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
SCHEMBL27969832 0.80 CYP2C19 (0.51) CYP2C19GAACYP1A2MAPTRAB9A
SCHEMBL24307053 0.80 L3MBTL1 (0.44) GAALMNAL3MBTL1CA12CA1
SCHEMBL19971719 0.80 L3MBTL1 (0.44) MAPTLMNAL3MBTL1CA12CA1
SCHEMBL372131 0.80 PPARG (0.51) CYP2C19GAAMAPTALDH1A1L3MBTL1
SCHEMBL4500668 0.79 CYP2C19 (0.48) CYP2C19GAACYP1A2MAPTRAB9A
SCHEMBL10233481 0.79 CA12 (0.48) CYP2C19GAACYP1A2MAPTRAB9A
SCHEMBL27589045 0.79 PPARA (0.54) CYP2C19PPARGPPARA
SCHEMBL2983425 0.79 PPARA (0.54) CYP2C19PPARGPPARA
SCHEMBL2983423 0.79 PPARA (0.54) CYP2C19PPARGPPARA
SCHEMBL22828360 0.79 TRPA1 (0.50) GAALMNAL3MBTL1CA12CA1

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