SCHEMBL31456130

SCHEMBL31456130

O=C(C(CC1CCCCC1)=NO)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 4/20 0.43
ATM Q13315 1/20 0.43
CES1 P23141 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CES2 O00748 1/20 0.39

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
SCHEMBL31456268 0.90 ALDH1A1 (0.55) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL18351278 0.88 HTT (0.39) KMT2AALDH1A1L3MBTL1POLB
SCHEMBL18799991 0.88 HTT (0.39) KMT2AALDH1A1L3MBTL1POLB
SCHEMBL24634212 0.84 EPHX2 (0.42) KMT2AALDH1A1L3MBTL1
SCHEMBL29503070 0.84 EPHX2 (0.42) KMT2AALDH1A1L3MBTL1
SCHEMBL860742 0.83 HPGD (0.42) KMT2AALDH1A1L3MBTL1
Acetic Acid SCHEMBL22497420 0.81 HPGD (0.44) KMT2AALDH1A1L3MBTL1POLB
Benzoic Acid SCHEMBL29503073 0.79 CES2 (0.40) KMT2AALDH1A1CES1L3MBTL1CES2
SCHEMBL17540462 0.75 MAPT (0.53) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL29501786 0.71 EPHX2 (0.46) KMT2AALDH1A1

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-119528762-A Oxime oxalate compound, photoresist and application thereof 北京云基科技股份有限公司 2025-02-28 CN disclosed