SCHEMBL17364567

SCHEMBL17364567

C=Cc1ccnc(CNCC(=O)N(CC)CC2CCCN2C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 13/20 0.44
▸ KDM5C P41229 8/20 0.44
▸ KDM5A P29375 7/20 0.44
▸ KDM4A O75164 2/20 0.44
▸ KDM6B O15054 1/20 0.44
▸ KDM2B Q8NHM5 1/20 0.44
▸ KDM4C Q9H3R0 2/20 0.43
▸ KDM5D Q9BY66 1/20 0.43
▸ CNR2 P34972 2/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNB3 Q05901 1/20 0.34
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL16293695 0.93 KDM5B (0.46) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364563 0.88 KDM5B (0.42) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16303323 0.86 KDM5B (0.41) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16293261 0.86 KDM5B (0.41) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364568 0.78 KDM5B (0.59) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364570 0.75 KDM5B (0.51) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16293466 0.74 KDM5B (0.59) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL20041897 0.72 KDM5B (0.43) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364569 0.71 KDM4E (0.42) KDM5B
SCHEMBL15994214 0.70 KDM5B (0.72) 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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