SCHEMBL4683604

SCHEMBL4683604

CCCCCNC(=O)Nc1ccc(Oc2ccc(C(N)=O)cc2C)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
QPCT Q16769 3/20 0.51
EPHX2 P34913 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
POLB P06746 1/20 0.48
MGLL Q99685 2/20 0.47
EPHX1 P07099 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KDR P35968 2/20 0.44

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
SCHEMBL4786779 0.88 EPHX2 (0.52) MAPTMEN1KMT2AGAAHTT
SCHEMBL4687419 0.88 MEN1 (0.56) MAPTMEN1KMT2AGAAHTT
SCHEMBL4686909 0.87 HDAC1 (0.55) MAPTMEN1KMT2AGAAHTT
SCHEMBL14338677 0.84 EPHX1 (0.62) MAPTMEN1KMT2AGAAHTT
SCHEMBL5183248 0.82 TBXA2R (0.56) MAPTMEN1KMT2AQPCTEPHX2
SCHEMBL4238631 0.82 MEN1 (0.52) MAPTMEN1KMT2AGAAHTT
SCHEMBL12989362 0.81 QPCT (0.63) MAPTMEN1KMT2AGAAHTT
SCHEMBL4682919 0.80 HDAC1 (0.51) MAPTMEN1KMT2AGAAHTT
SCHEMBL4683716 0.79 KDR (0.56) MAPTMEN1KMT2AGAAHTT
SCHEMBL4786912 0.79 KDR (0.54) MAPTMEN1KMT2AGAAHTT

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO claimed