SCHEMBL17973369

SCHEMBL17973369

O=[N+]([O-])c1ccc(-c2ccc(/C(C/C(=N/O)C3CCCCC3)=N\O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
KMT2A Q03164 5/20 0.45
POLB P06746 5/20 0.45
MEN1 O00255 3/20 0.45
PGR P06401 1/20 0.43
ALDH1A1 P00352 6/20 0.43
EPHX1 P07099 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL17973373 0.79 ATM (0.50) ATMKMT2APOLBMEN1PGR
SCHEMBL17973372 0.75 MAPK1 (0.47) KMT2APOLBMEN1ALDH1A1L3MBTL1
SCHEMBL17973407 0.74 PGR (0.57) ATMKMT2APOLBMEN1PGR
SCHEMBL17973368 0.72 ALDH1A1 (0.56) ATMKMT2APOLBMEN1PGR
SCHEMBL8021779 0.71 TDP1 (0.55) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL8021776 0.71 TDP1 (0.55) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL31456268 0.71 ALDH1A1 (0.55) ATMKMT2APOLBMEN1PGR
SCHEMBL27320980 0.70 KMT2A (0.61) ATMKMT2APOLBMEN1ALDH1A1
SCHEMBL28587201 0.68 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL10792016 0.68 TSHR (0.52) KMT2APOLBMEN1ALDH1A1MAPT

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-2016122160-A1 NOVEL DIOXIMESTER COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 주식회사 삼양사 2016-08-04 WO disclosed