SCHEMBL18880361

SCHEMBL18880361

CCCCCCC/N=C/c1ccnc(CNCC(=O)N(CC)CC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.51
▸ KDM5C P41229 8/20 0.51
▸ KDM5A P29375 7/20 0.51
▸ KDM4A O75164 2/20 0.51
▸ KDM6B O15054 1/20 0.48
▸ KDM2B Q8NHM5 1/20 0.48
▸ KDM4C Q9H3R0 2/20 0.48
▸ KDM5D Q9BY66 1/20 0.48
▸ CYP2D6 P10635 4/20 0.38
▸ CACNA1B Q00975 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL15994395 1.00 KDM5B (0.51) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994396 1.00 KDM5B (0.51) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18880295 0.89 KDM5B (0.51) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364564 0.85 KDM5B (0.63) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL20041968 0.84 KDM5B (0.38) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994272 0.84 KDM5B (0.60) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16305526 0.84 KDM5B (0.60) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17984988 0.83 KDM5B (0.46) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16303324 0.83 KDM5B (0.46) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15996137 0.82 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4AKDM6B

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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