SCHEMBL5596435

SCHEMBL5596435

[c]1nc(NCc2nnn[nH]2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ILK Q13418 18/20 0.40
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5596285 0.78 KDM4E (0.47) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL5596942 0.77 ILK (0.51) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL5596753 0.76 ILK (0.56) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL5596256 0.76 NPC1 (0.54) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL5596406 0.75 ILK (0.51) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL5596937 0.72 ILK (0.53) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL5596674 0.72 NPC1 (0.44) ILKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5596495 0.72 LTA4H (0.39) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL5596418 0.72 NPC1 (0.44) ILKNPC1RAB9AKDM4EALDH1A1
SCHEMBL5596939 0.72 NPC1 (0.44) ILKNPC1RAB9AKDM4EALDH1A1

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