SCHEMBL4690577

SCHEMBL4690577

COCc1cc(NC(=O)O)ccc1Oc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 5/20 0.45
MAPK1 P28482 3/20 0.45
POLB P06746 3/20 0.45
BLM P54132 1/20 0.45
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
SETD7 Q8WTS6 1/20 0.42
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 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
SCHEMBL4690578 1.00 MEN1 (0.45) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4740656 0.88 KMT2A (0.50) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4740658 0.88 KMT2A (0.50) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4229236 0.86 KMT2A (0.44) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4684023 0.84 MEN1 (0.60) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4684021 0.84 MEN1 (0.60) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4231989 0.80 ALDH1A1 (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4683454 0.80 MEN1 (0.62) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4687842 0.78 KMT2A (0.54) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL4687845 0.78 KMT2A (0.54) MEN1KMT2AMAPTMAPK1POLB

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