SCHEMBL8042401

SCHEMBL8042401

COc1ccc(-c2nnc(-c3ccccn3)nc2NCc2ccc(Cl)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 17/20 0.85
CLK4 Q9HAZ1 2/20 0.53
CLK1 P49759 1/20 0.53
CLK2 P49760 1/20 0.53
DYRK1A Q13627 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
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

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
SCHEMBL8032094 0.92 HIF1A (0.92) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8032046 0.91 HIF1A (0.86) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8042386 0.88 HIF1A (0.84) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8045572 0.87 HIF1A (0.80) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL29546979 0.83 HIF1A (1.00) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL19911080 0.83 HIF1A (1.00) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8043537 0.78 HIF1A (0.77) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8049564 0.78 HIF1A (0.81) HIF1A
SCHEMBL31257234 0.77 HIF1A (1.00) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL30260200 0.76 HIF1A (0.74) 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