SCHEMBL5183248

SCHEMBL5183248

CCCCCNC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2C)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
BLM P54132 1/20 0.54
EPHX2 P34913 1/20 0.48
QPCT Q16769 1/20 0.47

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
SCHEMBL4787995 0.88 TBXA2R (0.61) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4787051 0.87 TBXA2R (0.62) TBXA2RMEN1KMT2A
SCHEMBL4785961 0.85 TBXA2R (0.59) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4786650 0.85 TBXA2R (0.61) TBXA2RMEN1KMT2AMAPT
SCHEMBL4787488 0.84 TBXA2R (0.61) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4786779 0.84 EPHX2 (0.52) MEN1KMT2AMAPTPOLBEPHX2
SCHEMBL4683604 0.82 MAPT (0.52) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL4235514 0.82 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL4684023 0.82 MEN1 (0.60) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4684021 0.82 MEN1 (0.60) TBXA2RMEN1KMT2AMAPTSMN1; 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
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed