SCHEMBL8043500

SCHEMBL8043500

COc1ccc(Nc2nc(-c3ccccn3)nnc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.57
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
ACP1 P24666 1/20 0.49
GSK3B P49841 1/20 0.48
AHR P35869 1/20 0.45
TP53 P04637 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
NPY5R Q15761 1/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL8045572 0.85 HIF1A (0.80) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8043618 0.80 SMN1; SMN2 (0.51) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8049564 0.79 HIF1A (0.81) HIF1A
SCHEMBL8041613 0.78 HIF1A (0.60) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8032085 0.78 HIF1A (0.52) HIF1AHTTSMN1; SMN2AHRNPC1
SCHEMBL8043537 0.76 HIF1A (0.77) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8041622 0.75 HIF1A (0.58) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8032069 0.75 HIF1A (0.77) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8032094 0.75 HIF1A (0.92) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8042397 0.75 HIF1A (0.79) 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