SCHEMBL21257675

SCHEMBL21257675

CN(C)CCN1C(=O)CN(Cc2cc(C(=O)O)ccn2)Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 4/20 0.45
▸ KDM5C P41229 3/20 0.45
▸ KDM5B Q9UGL1 7/20 0.42
▸ KDM5A P29375 4/20 0.42
▸ HRH1 P35367 3/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ KDM2B Q8NHM5 3/20 0.40
▸ KDM4A O75164 3/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ EDNRB P24530 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ SLC22A2 O15244 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ CACNA1F O60840 1/20 0.35

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
SCHEMBL21257791 0.89 KDM5C (0.43) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257707 0.89 KDM5C (0.43) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257674 0.88 KDM5B (0.45) KDM4CKDM5CKDM5BKDM5AHRH1
SCHEMBL21257593 0.88 KDM4C (0.43) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257572 0.88 KDM4C (0.43) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257570 0.88 KDM4C (0.43) KDM4CKDM5CKDM5BKDM5AHRH1
SCHEMBL21257795 0.88 KDM4C (0.43) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257742 0.88 KDM5C (0.44) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257590 0.88 KDM4C (0.44) KDM4CKDM5CKDM5BKDM5AKDM2B
SCHEMBL21257739 0.86 KDM4C (0.43) 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