SCHEMBL18880281

SCHEMBL18880281

CCN(CCN1CCC1)C(=O)CNCc1cc(CN)ccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.54
▸ KDM5C P41229 8/20 0.54
▸ KDM5A P29375 7/20 0.54
▸ KDM4C Q9H3R0 2/20 0.54
▸ KDM5D Q9BY66 1/20 0.54
▸ KDM4A O75164 2/20 0.53
▸ KDM6B O15054 1/20 0.53
▸ KDM2B Q8NHM5 1/20 0.53
▸ HTR2A P28223 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ ACKR3 P25106 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ DRD2 P14416 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
SCHEMBL15994315 0.85 KDM5B (0.75) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16293178 0.84 KDM5B (0.74) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL17364565 0.75 KDM5B (0.75) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL15994347 0.74 KDM5B (0.73) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL18880308 0.73 KDM5B (0.74) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16006928 0.72 CYP3A4 (0.43) —
SCHEMBL19574688 0.72 KDM5B (0.69) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL25380189 0.70 KDM5B (1.00) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL15636679 0.69 KDM5B (1.00) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL15994214 0.69 KDM5B (0.72) KDM5BKDM5CKDM5AKDM4CKDM5D

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
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