SCHEMBL27934647

SCHEMBL27934647

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KCNJ1 P48048 1/20 0.34
▸ CYP2A6 P11509 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15409988 0.77 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL16560329 0.77 CCR1 (0.40) KDM4EALDH1A1CYP2A6
SCHEMBL16166585 0.75 KDM4E (0.36) KDM4EALDH1A1L3MBTL1
SCHEMBL15856196 0.75 GBA1 (0.38) KDM4EALDH1A1
SCHEMBL13878887 0.75 HTR2C (0.37) KDM4EALDH1A1
SCHEMBL22122693 0.75 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL14753650 0.74 CYP2A6 (0.41) KDM4EALDH1A1CYP2A6SMN1; SMN2
SCHEMBL15285101 0.73 P4HA1 (0.46) ALDH1A1L3MBTL1
SCHEMBL16688436 0.73 HDAC3 (0.38) KDM4EALDH1A1L3MBTL1KCNJ1SMN1; SMN2
SCHEMBL14948664 0.72 HRH3 (0.43) KDM4EALDH1A1L3MBTL1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103502218-B Compounds and methods for for conjugating biomolecules 生命科技公司 2016-08-17 — — CN disclosed
CN-103502218-A Compounds and methods for conjugation of biomolecules LIFE TECHNOLOGIES CORP 2014-01-08 — — CN disclosed
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