SCHEMBL5698795

SCHEMBL5698795

COc1ccc(Nc2ccccc2C(=O)Nc2cccnc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
KMT2A Q03164 6/20 0.66
POLB P06746 3/20 0.66
RAB9A P51151 4/20 0.65
KDM4E B2RXH2 3/20 0.63
BRAF P15056 1/20 0.61
MEN1 O00255 5/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TSHR P16473 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.59
SGMS2 Q8NHU3 1/20 0.59
GAA P10253 1/20 0.58
LRRK2 Q5S007 1/20 0.58
USP2 O75604 1/20 0.58
RECQL P46063 1/20 0.58

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
SCHEMBL27744709 0.87 TSHR (0.67) PKMTDP1KMT2ARAB9AKDM4E
SCHEMBL28676345 0.86 MEN1 (0.72) KMT2APOLBRAB9AKDM4EMEN1
SCHEMBL5420319 0.83 KMT2A (0.90) PKMTDP1KMT2APOLBRAB9A
SCHEMBL14880379 0.82 PKM (0.79) PKMTDP1KMT2APOLBRAB9A
SCHEMBL30151533 0.79 RAB9A (1.00) PKMTDP1KMT2APOLBRAB9A
SCHEMBL11129936 0.79 RAB9A (1.00) PKMTDP1KMT2APOLBRAB9A
SCHEMBL6352080 0.79 ALDH1A1 (0.76) PKMTDP1KMT2APOLBRAB9A
SCHEMBL24074161 0.78 TSHR (0.74) PKMTDP1KMT2APOLBKDM4E
SCHEMBL10990122 0.78 MEN1 (0.61) PKMTDP1KMT2APOLBRAB9A
SCHEMBL10515711 0.78 MEN1 (0.65) PKMTDP1KMT2ARAB9AKDM4E

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-1687256-A1 NOVEL PHENOXYACETAMIDE DERIVATIVES AND USE THEREOF FOR THE PREPARATION OF DIPHENYLAMINES MERCK PATENT GmbH (DE) 2006-08-09 EP disclosed
WO-2005051892-A1 NOVEL PHENOXYACETAMIDE DERIVATIVES AND USE THEREOF FOR THE PREPARATION OF DIPHENYLAMINES MERCK PATENT GMBH (DE) 2005-06-09 WO disclosed