SCHEMBL8032100

SCHEMBL8032100

CC(C)N(CCSc1nc(-c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 13/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MITF O75030 1/20 0.43
GRM5 P41594 1/20 0.39
HTT P42858 2/20 0.39
METAP1 P53582 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL8041620 0.89 HIF1A (0.48) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL8049621 0.87 HIF1A (0.44) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL8041619 0.85 HIF1A (0.47) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL8043588 0.85 HIF1A (0.43) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL8045505 0.84 HIF1A (0.45) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL8041606 0.84 HIF1A (0.51) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL8032107 0.84 HIF1A (0.45) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL8042355 0.80 HIF1A (0.47) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL8043531 0.80 METAP1 (0.49) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL8045497 0.79 TRPV1 (0.44) HIF1AKDM4ELMNASMN1; SMN2MITF

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