SCHEMBL4690580

SCHEMBL4690580

COc1cc(Oc2ccc(NC(=O)O)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
RAF1 P04049 1/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MYOC Q99972 1/20 0.48
THRB P10828 1/20 0.47
SIRT6 Q8N6T7 1/20 0.45
ALOX5 P09917 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL4233933 0.84 RAF1 (0.49) MEN1KMT2ALMNAPOLBRAF1
SCHEMBL10817393 0.83 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL8728027 0.83 SRD5A2 (0.54) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL16792372 0.82 ALDH1A1 (0.57) MEN1KMT2ALMNAALDH1A1TDP1
SCHEMBL4788024 0.82 PKM (0.59) MEN1KMT2ALMNAPOLBRAF1
SCHEMBL4788031 0.80 KDR (0.52) MEN1KMT2ARAF1ALDH1A1MAPT
SCHEMBL4688156 0.79 BRAF (0.51) MEN1KMT2ALMNARAF1ALDH1A1
SCHEMBL4687895 0.79 MEN1 (0.60) MEN1KMT2ALMNAPOLBRAF1
SCHEMBL1028021 0.79 MEN1 (0.47) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL7937740 0.78 TDP1 (0.50) MEN1KMT2ALMNAALDH1A1TSHR

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