SCHEMBL31258015

SCHEMBL31258015

CCOC(=O)C(=[N+]=[N-])c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
LMNA P02545 1/20 0.39
NAMPT P43490 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL28321122 0.83 SMN1; SMN2 (0.45) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL900466 0.83 ALDH1A1 (0.54) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL27142314 0.83 L3MBTL1 (0.50) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL29001221 0.82 CA1 (0.56) KMT2ANPSR1ALDH1A1MAPTMEN1
SCHEMBL28366477 0.81 ALDH1A1 (0.42) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL28399426 0.81 MAPT (0.50) KMT2ANPSR1KDM4EALDH1A1MAPT
SCHEMBL28783011 0.81 SMN1; SMN2 (0.49) KMT2ANPSR1ALDH1A1MAPTMEN1
SCHEMBL17338792 0.81 KMT2A (0.50) KMT2ANPSR1KDM4EALDH1A1MAPT
SCHEMBL28393255 0.81 KYAT1 (0.39) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL16401498 0.80 NPSR1 (0.50) KMT2ANPSR1KDM4EALDH1A1MAPT

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-119039217-A N-alkyl pyridyl quaternary ammonium salt substituted diazoacetate and preparation method and application thereof 常州大学 2024-11-29 CN disclosed