SCHEMBL8049554

SCHEMBL8049554

C=CCNc1nc(-c2ccccn2)nnc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 17/20 0.66
KDM4E B2RXH2 1/20 0.66
LMNA P02545 1/20 0.66
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
SLC2A1 P11166 1/20 0.48
GRM5 P41594 1/20 0.47
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8032052 0.84 HIF1A (0.69) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8651042 0.82 HIF1A (0.52) HIF1AGRM5
SCHEMBL8043528 0.80 GRM5 (0.50) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8043574 0.76 KDM4E (0.67) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL30260200 0.71 HIF1A (0.74) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8042386 0.68 HIF1A (0.84) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL2322004 0.68 NPC1 (0.69) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL30821175 0.65 GRM5 (1.00) KDM4ELMNASMN1; SMN2GRM5ALDH1A1
SCHEMBL18385896 0.64 NPC1 (0.57) KDM4ELMNAHTTSMN1; SMN2GRM5
SCHEMBL8045470 0.64 NPC1 (0.47) HIF1AKDM4ELMNAHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US claimed
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US disclosed