SCHEMBL8282155

SCHEMBL8282155

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.57
MAPT P10636 10/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.53
RAF1 P04049 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
PAX8 Q06710 1/20 0.53
GAA P10253 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6259886 1.00 VCAM1 (0.57) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL13495791 0.85 MAPT (0.68) MAPTALDH1A1HPGDGAANPC1
SCHEMBL6260994 0.82 ALDH1A1 (0.57) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL4586022 0.80 VCAM1 (0.63) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL8280952 0.80 VCAM1 (0.63) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL30811551 0.78 VCAM1 (0.74) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL239454 0.78 VCAM1 (0.74) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL6473 0.78 VCAM1 (0.74) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL5313736 0.77 NPC1 (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5313730 0.77 NPC1 (0.63) MAPTALDH1A1MEN1KMT2ALMNA

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