SCHEMBL8043544

SCHEMBL8043544

CCOc1nc(-c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 13/20 0.46
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
MITF O75030 1/20 0.45
GRM5 P41594 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
PPP1CA P62136 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR1 P21453 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
SCHEMBL8043618 0.88 SMN1; SMN2 (0.51) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL8041599 0.86 HIF1A (0.48) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL8032107 0.81 HIF1A (0.45) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL8041622 0.79 HIF1A (0.58) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL8049599 0.77 CYP1A2 (0.57) KDM4ELMNASMN1; SMN2TRPV1
SCHEMBL8049612 0.76 HIF1A (0.61) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL8043588 0.76 HIF1A (0.43) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL30151316 0.76 GAA (0.50) KDM4ESMN1; SMN2PPP1CAKMT2AS1PR1
SCHEMBL8042368 0.76 HIF1A (0.50) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL8043550 0.75 CYP1A2 (0.49) 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