SCHEMBL5596758

SCHEMBL5596758

[c]1nc(NCCCn2cccn2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.41
JAK1 P23458 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
ILK Q13418 6/20 0.39
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CSNK2A2 P19784 1/20 0.35
FGFR2 P21802 1/20 0.35
KDR P35968 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL5596942 0.81 ILK (0.51) ILKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7144576 0.79 ILK (0.50) ILKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5596256 0.78 NPC1 (0.54) ILKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5596604 0.78 ILK (0.52) ILKRAB9ASMN1; SMN2TP53TSHR
SCHEMBL5596406 0.77 ILK (0.51) ILKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5596285 0.76 KDM4E (0.47) JAK1PIK3C3NPC1RAB9AKDM4E
SCHEMBL5596674 0.74 NPC1 (0.44) ILKNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5596495 0.74 LTA4H (0.39) ILKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5596418 0.74 NPC1 (0.44) ILKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5596937 0.74 ILK (0.53) ILKNPC1RAB9AKDM4ESMN1; SMN2

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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed