SCHEMBL6608082

SCHEMBL6608082

CCOC(=O)Oc1cc2cc([N+](=O)[O-])ccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
TP53 P04637 1/20 0.47
CYP19A1 P11511 1/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
AR P10275 1/20 0.43
MAPK1 P28482 1/20 0.42
ELANE P08246 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
NPBWR1 P48145 1/20 0.41
RAB9A P51151 1/20 0.41
MCHR1 Q99705 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL6172815 0.87 KMT2A (0.49) MAPTTP53CYP19A1KMT2AMEN1
SCHEMBL10173095 0.87 MAPT (0.45) MAPTTP53KMT2AMEN1LMNA
SCHEMBL6175583 0.83 AR (0.47) MAPTTP53CYP19A1KMT2AMEN1
SCHEMBL31383537 0.80 MAPT (0.59) MAPTTP53CYP19A1KMT2AMEN1
SCHEMBL4203356 0.80 MAPT (0.59) MAPTTP53CYP19A1KMT2AMEN1
SCHEMBL9237671 0.80 LMNA (0.50) TP53KMT2AMEN1LMNARXFP1
SCHEMBL9238606 0.80 KDM4E (0.50) MAPTTP53KMT2AMEN1LMNA
SCHEMBL8131642 0.79 MAPT (0.43) MAPTTP53CYP19A1KMT2AMEN1
SCHEMBL6173011 0.78 KMT2A (0.41) MAPTKMT2AMEN1ELANEALDH1A1
SCHEMBL9266851 0.78 MCL1 (0.46) MAPTTP53KMT2AMEN1SMN1; 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
EP-1418906-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2004-05-19 EP disclosed
WO-2003015769-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-27 WO disclosed