SCHEMBL5765529

SCHEMBL5765529

c1ccc(Nc2ccon2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALPG P10696 1/20 0.50
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 2/20 0.46
CDK2 P24941 2/20 0.46
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
NPC1 O15118 1/20 0.46
PDPK1 O15530 1/20 0.46
CHEK2 O96017 1/20 0.46
PRKCG P05129 1/20 0.46
CDK1 P06493 1/20 0.46
LYN P07948 1/20 0.46
KIT P10721 1/20 0.46

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
SCHEMBL23794887 0.79 RAB9A (0.60) KMT2AMAPTMEN1RAB9AMAPK1
SCHEMBL5788078 0.79 RAB9A (0.43) KMT2AMAPTMEN1RAB9AKDM4E
SCHEMBL23794893 0.79 MAPT (0.48) KMT2AMAPTMEN1RAB9AKDM4E
SCHEMBL23794891 0.79 MAPK10 (0.50) KMT2AMAPTMEN1RAB9AHSD17B10
SCHEMBL23794894 0.79 AURKA (0.49) KMT2AMAPTMEN1RAB9AAURKA
SCHEMBL73115 0.77 BACE1 (0.45) KMT2AMEN1KDM4EALDH1A1BACE1
SCHEMBL23794897 0.75 ROCK1 (0.51) KMT2AMAPTMEN1RAB9AHSD17B10
SCHEMBL23794892 0.75 KMT2A (0.48) KMT2A
SCHEMBL23794896 0.75 RAB9A (0.59) KMT2AMAPTMEN1RAB9ATDP1
SCHEMBL23794889 0.74 MEN1 (0.64) KMT2AMAPTMEN1RAB9AMAPK1

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-1648892-A2 ARYL-SUBSTITUTED BENZO[D]ISOTHIAZOL-3-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2006-04-26 EP disclosed
WO-2005009982-A2 ARYL-SUBSTITUTED BENZO[D]ISOTHIAZOL-3-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-02-03 WO disclosed