SCHEMBL8043618

SCHEMBL8043618

COc1nc(-c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KMT2A Q03164 2/20 0.47
PPP1CA P62136 1/20 0.47
HIF1A Q16665 8/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
MITF O75030 1/20 0.47
GAA P10253 1/20 0.46
GRM5 P41594 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MEN1 O00255 1/20 0.43
AHR P35869 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8043544 0.88 HIF1A (0.46) SMN1; SMN2KMT2APPP1CAHIF1AKDM4E
SCHEMBL8041599 0.84 HIF1A (0.48) SMN1; SMN2HIF1AKDM4ELMNAHTT
SCHEMBL8043500 0.80 HIF1A (0.57) SMN1; SMN2NPC1RAB9AHIF1AKDM4E
SCHEMBL8032107 0.78 HIF1A (0.45) SMN1; SMN2HIF1AKDM4ELMNAHTT
SCHEMBL8041613 0.77 HIF1A (0.60) SMN1; SMN2HIF1AKDM4ELMNAHTT
SCHEMBL8032085 0.77 HIF1A (0.52) SMN1; SMN2NPC1RAB9AKMT2APPP1CA
SCHEMBL8045572 0.77 HIF1A (0.80) SMN1; SMN2HIF1AKDM4ELMNAHTT
SCHEMBL21814279 0.77 TP53 (0.60) SMN1; SMN2NPC1RAB9AHIF1AKDM4E
SCHEMBL8043595 0.76 GRM5 (0.51) SMN1; SMN2NPC1RAB9AKMT2AHIF1A
SCHEMBL8043602 0.76 GRM5 (0.54) SMN1; SMN2RAB9AKMT2APPP1CAHIF1A

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