SCHEMBL4683934

SCHEMBL4683934

COc1cc([N+](=O)[O-])ccc1Oc1cccc(NC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.62
MEN1 O00255 12/20 0.62
LMNA P02545 6/20 0.55
MAPK1 P28482 4/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 8/20 0.54
HTT P42858 2/20 0.54
SETD7 Q8WTS6 1/20 0.54
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
BLM P54132 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
PDGFRA P16234 1/20 0.49
KDR P35968 1/20 0.49
TTR P02766 1/20 0.49

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
SCHEMBL4683941 1.00 KMT2A (0.62) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL4686933 0.88 KMT2A (0.65) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL4686928 0.88 KMT2A (0.65) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL4687895 0.87 MEN1 (0.60) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL4687906 0.84 MEN1 (0.58) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL4687907 0.84 MEN1 (0.58) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL5169615 0.81 FFAR1 (0.69) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL5169625 0.81 FFAR1 (0.69) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL4684023 0.81 MEN1 (0.60) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL4684021 0.81 MEN1 (0.60) KMT2AMEN1LMNAMAPK1POLB

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