SCHEMBL11076565

SCHEMBL11076565

C=CCN(Oc1ccccc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.36
ALDH1A1 P00352 6/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.33
SNCA P37840 1/20 0.33
C5AR1 P21730 1/20 0.33

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
SCHEMBL2028644 0.90 KDM4E (0.42) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL4790892 0.75 KDM4E (0.50) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL8812752 0.75 KDM4E (0.44) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL9543595 0.74 KDM4E (0.50) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL9772660 0.72 KDM4E (0.41) KDM4EKMT2ARAB9AMEN1MAPT
SCHEMBL9592847 0.70 KDM4E (0.41) KDM4EMAPTALDH1A1HSD17B10C5AR1
SCHEMBL11070310 0.70 CYP19A1 (0.46) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL29320854 0.69 HSD17B10 (0.44) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL8893719 0.69 KDM4E (0.44) KDM4EKMT2ARAB9AMAPTALDH1A1
SCHEMBL8444568 0.68 KDM4E (0.42) KDM4EKMT2AMEN1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027555-B1 PROCESS FOR THE PREPARATION OF DIPHENYL ETHERS CELAMERCK GmbH & Co. KG (DE) 1984-01-04 EP disclosed