SCHEMBL21257757

SCHEMBL21257757

CN(C)CCN1C(=O)CN(Cc2cc(C(=O)O)ccn2)CCC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 5/20 0.48
▸ KDM5C P41229 4/20 0.48
▸ KDM5B Q9UGL1 8/20 0.45
▸ KDM5A P29375 5/20 0.45
▸ KDM2B Q8NHM5 4/20 0.40
▸ KDM4A O75164 4/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ JMJD6 Q6NYC1 1/20 0.34
▸ WNT1 P04628 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ GSK3B P49841 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
SCHEMBL21257596 0.90 KDM4C (0.48) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257809 0.83 KDM4C (0.51) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257755 0.79 KDM4C (0.47) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257726 0.78 KDM4C (0.46) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257708 0.76 KDM4C (0.50) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257664 0.74 KDM4C (0.48) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257696 0.74 KDM4C (0.55) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257688 0.74 KDM4C (0.45) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257675 0.74 KDM4C (0.45) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257752 0.73 KDM4C (0.54) KDM4CKDM5CKDM5BKDM5AKDM2B

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-2019154261-A1 PYRIDINE DERIVATIVE RELATED TO KMD5 PATHWAY 南京明德新药研发股份有限公司 2019-08-15 — — WO disclosed
Send feedback