SCHEMBL7144576

SCHEMBL7144576

[c]1nc(NCCCN2CCOCC2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.50
GAA P10253 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
RAD52 P43351 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 2/20 0.48
ACP1 P24666 1/20 0.46
IRAK4 Q9NWZ3 3/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
MGLL Q99685 1/20 0.44
LTA4H P09960 1/20 0.44

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
SCHEMBL5596604 0.85 ILK (0.52) ILKRAB9AACP1IRAK4TP53
SCHEMBL5596942 0.80 ILK (0.51) ILKGAARAB9AKDM4ENPC1
SCHEMBL5596758 0.79 QPCT (0.41) ILKRAB9AKDM4ENPC1KMT2A
SCHEMBL5596256 0.77 NPC1 (0.54) ILKRAB9AKDM4ENPC1LMNA
SCHEMBL5596406 0.76 ILK (0.51) ILKGAARAB9AKDM4ENPC1
SCHEMBL4948593 0.74 MAPK8 (0.55) ILKGAARAB9ANPC1KMT2A
SCHEMBL5596418 0.73 NPC1 (0.44) ILKGAARAB9AKDM4ENPC1
SCHEMBL5596937 0.73 ILK (0.53) ILKGAARAB9AKDM4ENPC1
SCHEMBL5596495 0.73 LTA4H (0.39) ILKRAB9AKDM4ENPC1POLB
SCHEMBL5596674 0.73 NPC1 (0.44) ILKRAB9ANPC1LMNAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240164-B1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-11-12 EP disclosed