SCHEMBL28442739

SCHEMBL28442739

CCNC(=O)C(CCN(C)C)NCc1cc(C(=O)N2CCOC2=O)ccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 8/20 0.42
▸ KDM5A P29375 5/20 0.42
▸ KDM5C P41229 5/20 0.42
▸ NAAA Q02083 3/20 0.39
▸ FAAH O00519 2/20 0.39
▸ KDM6B O15054 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ KDM4C Q9H3R0 2/20 0.37
▸ KDM5D Q9BY66 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ PROKR1 Q8TCW9 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
SCHEMBL15639137 0.78 KDM5B (0.66) KDM5BKDM5AKDM5CNAAAKDM6B
SCHEMBL18708598 0.76 KDM5B (0.54) KDM5BKDM5AKDM5CNAAAFAAH
SCHEMBL15994210 0.66 KDM5B (0.56) KDM5BKDM5AKDM5CKDM6BKDM4A
SCHEMBL19676523 0.61 KDM5B (0.55) KDM5BKDM5AKDM5CKDM6BKDM4A
SCHEMBL29210374 0.61 HPGD (0.57) NAAAFAAH
SCHEMBL16291579 0.59 KDM5B (0.62) KDM5BKDM5AKDM5CKDM6BKDM4A
SCHEMBL16291803 0.58 KDM5B (0.67) KDM5BKDM5AKDM5CKDM6BKDM4A
SCHEMBL15636244 0.58 KDM5B (0.68) KDM5BKDM5AKDM5CKDM6BKDM4A
SCHEMBL16291681 0.58 KDM5B (0.54) KDM5BKDM5AKDM5CKDM6BKDM4A
SCHEMBL29210364 0.58 NAAA (0.52) NAAAFAAH

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
CN-107434803-B Inhibitors of histone demethylases 吉利德科学公司 2020-05-05 — — CN disclosed
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