SCHEMBL4787995

SCHEMBL4787995

CCCCCNC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 12/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
BLM P54132 1/20 0.53
MGLL Q99685 1/20 0.53
KDR P35968 2/20 0.52
PDGFRA P16234 1/20 0.52

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
SCHEMBL4787488 0.96 TBXA2R (0.61) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4787754 0.92 TBXA2R (0.62) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4787491 0.90 TBXA2R (0.62) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4785961 0.89 TBXA2R (0.59) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4785177 0.89 TBXA2R (0.57) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5183248 0.88 TBXA2R (0.56) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4786978 0.88 TBXA2R (0.56) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4787919 0.87 TBXA2R (0.56) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4786555 0.86 TBXA2R (0.56) TBXA2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4785959 0.86 KMT2A (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed