SCHEMBL8280952

SCHEMBL8280952

N/C(=N\O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.63
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 1/20 0.50
RAF1 P04049 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL4586022 1.00 VCAM1 (0.63) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL6473 0.81 VCAM1 (0.74) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL13495909 0.81 TSHR (0.61) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL14738946 0.81 TSHR (0.61) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL31261532 0.81 TSHR (0.61) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8280961 0.80 VCAM1 (0.67) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL6259886 0.80 VCAM1 (0.57) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL8282155 0.80 VCAM1 (0.57) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL1258621 0.78 VCAM1 (1.00) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL18838994 0.77 TSHR (0.61) MAPTALDH1A1MEN1KMT2AKDM4E

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-2005072741-A1 ((11-OXO-10,11-DIHYDRODIBENZO [B, F] [1, 4] OXAZEPIN-1-YL)OXY) ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CARDIOVASCULAR PREPARATIONS USED TO TREAT ARTERIOLOSCLEROSIS BAYER HEALTHCARE AG (DE) 2005-08-11 WO disclosed