SCHEMBL18880294

SCHEMBL18880294

CCNCc1cc(/C=N/CCO)ccn1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 7/20 0.33
▸ KDM5C P41229 6/20 0.33
▸ KDM4A O75164 3/20 0.33
▸ KDM4B O94953 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM5A P29375 4/20 0.32
▸ KDM6B O15054 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ KDM5D Q9BY66 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL16292658 0.86 KDM5B (0.40) KDM5BKDM5CKDM4AKDM4BALDH1A1
SCHEMBL18880295 0.82 KDM5B (0.51) KDM5BKDM5CKDM4AKDM4BALDH1A1
SCHEMBL16293837 0.82 KDM5B (0.37) KDM5BKDM5CKDM4AKDM4BALDH1A1
SCHEMBL16293836 0.82 KDM5B (0.37) KDM5BKDM5CKDM4AKDM4BALDH1A1
SCHEMBL16305527 0.81 S1PR1 (0.37) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL16292953 0.81 S1PR1 (0.37) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL15996136 0.78 KDM5B (0.62) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL15996137 0.78 KDM5B (0.62) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL20042003 0.78 KDM4A (0.33) KDM5BKDM5CKDM4AKDM4BLMNA
SCHEMBL16292659 0.78 SIRT2 (0.34) KDM5BKDM5CKDM4AKDM4BALDH1A1

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
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
Send feedback