SCHEMBL17364568

SCHEMBL17364568

C=Cc1ccnc(CNCC(=O)N(CC)CCN(CC)CC)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.59
▸ KDM5C P41229 8/20 0.59
▸ KDM5A P29375 7/20 0.59
▸ KDM4A O75164 2/20 0.59
▸ KDM6B O15054 1/20 0.59
▸ KDM2B Q8NHM5 1/20 0.59
▸ KDM4C Q9H3R0 2/20 0.58
▸ KDM5D Q9BY66 1/20 0.58
▸ S1PR1 P21453 1/20 0.34
▸ TOP2A P11388 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL15994219 0.91 KDM5B (0.61) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994214 0.83 KDM5B (0.72) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364570 0.82 KDM5B (0.51) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16293466 0.81 KDM5B (0.59) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364567 0.78 KDM5B (0.44) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676485 0.77 KDM5B (0.55) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364564 0.77 KDM5B (0.63) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15996136 0.76 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15996137 0.76 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364565 0.76 KDM5B (0.75) KDM5BKDM5CKDM5AKDM4AKDM6B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
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