SCHEMBL29417375

SCHEMBL29417375

N#Cc1cccc(CN(CCC(=O)NO)Cc2cccc(C#N)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 9/20 0.76
▸ MEP1A Q16819 2/20 0.76
▸ HDAC3 O15379 3/20 0.51
▸ HDAC1 Q13547 3/20 0.51
▸ HDAC2 Q92769 3/20 0.51
▸ HDAC8 Q9BY41 3/20 0.51
▸ NCOR2 Q9Y618 2/20 0.51
▸ LMNA P02545 1/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ ERCC1 P07992 1/20 0.43
▸ ERCC4 Q92889 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL19478234 1.00 MEP1B (0.76) MEP1BMEP1AHDAC3HDAC1HDAC2
SCHEMBL19478235 0.92 MEP1B (0.72) MEP1BMEP1AHDAC3HDAC1HDAC2
SCHEMBL19510175 0.86 MEP1B (1.00) MEP1BMEP1ALMNA
SCHEMBL19474704 0.83 MEP1B (0.55) MEP1BMEP1AHDAC3HDAC1HDAC2
SCHEMBL6510744 0.81 MEP1B (0.56) MEP1BMEP1ALMNARORCFFAR1
SCHEMBL19478284 0.78 HDAC1 (0.79) MEP1BHDAC3HDAC1HDAC2HDAC8
SCHEMBL28733027 0.77 MEP1B (0.64) MEP1BMEP1ALMNAFFAR1FFAR4
SCHEMBL28764949 0.76 MEP1A (0.56) MEP1BMEP1ARORC
SCHEMBL19478276 0.76 MEP1B (0.71) MEP1BMEP1AHDAC3HDAC1HDAC2
SCHEMBL410067 0.75 MEP1B (0.58) MEP1BMEP1ALMNAGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507175-A Novel inhibitors of hypnotic proteins alpha and beta 维沃里翁治疗股份有限公司 2022-05-17 — — CN disclosed
CN-109195947-B Novel inhibitors of hypnotic proteins alpha and beta 维沃里翁治疗股份有限公司 2022-03-04 — — CN disclosed
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