SCHEMBL8042368

SCHEMBL8042368

CCC(CO)(CO)Nc1nc(-c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 17/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TRPV1 Q8NER1 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
SCHEMBL8049612 0.79 HIF1A (0.61) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8043537 0.78 HIF1A (0.77) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8042377 0.78 HIF1A (0.72) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8041622 0.77 HIF1A (0.58) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8042397 0.77 HIF1A (0.79) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8032069 0.77 HIF1A (0.77) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8042372 0.76 HIF1A (0.71) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8045549 0.76 HIF1A (0.79) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8042357 0.76 HIF1A (0.80) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8049591 0.76 HIF1A (0.72) 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