SCHEMBL16006903

SCHEMBL16006903

CNCC1CCC(CNCc2cc(C=O)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.34
▸ KDM4B O94953 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GLS O94925 2/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ TP53 P04637 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
SCHEMBL15994346 0.86 KDM5B (0.35) KDM4AKDM5CKDM5BCYP2D6CYP3A4
SCHEMBL16293110 0.85 KDM2B (0.38) HTR1AGSK3B
SCHEMBL15994518 0.82 KDM5B (0.32) KDM4AKDM5CKDM5BCYP2D6KCNH2
SCHEMBL15636644 0.72 KDM5B (0.51) KDM4AKDM4BKDM5CKDM5B
SCHEMBL15994191 0.72 SIRT2 (0.41) KDM4AKDM4BKDM5CKDM5B
SCHEMBL15994123 0.72 CYP3A4 (0.31) KDM4AKDM5CKDM5BCYP2D6CYP3A4
SCHEMBL18831151 0.72 CYP3A4 (0.31) KDM4AKDM5CKDM5BCYP2D6CYP3A4
SCHEMBL16303319 0.72 CYP3A4 (0.31) KDM4AKDM5CKDM5BCYP2D6CYP3A4
SCHEMBL19676414 0.71 GLS (0.41) CYP2D6KCNH2GRIN2BGLSMEN1
SCHEMBL16293002 0.71 KDM5B (0.43) KDM4AKDM4BKDM5CKDM5B

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
WO-2014131777-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2014-09-04 — — WO disclosed
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