SCHEMBL22483752

SCHEMBL22483752

O=C(CCCN(CCc1ccccc1)Cc1ccccc1)NO

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.76
▸ HDAC2 Q92769 11/20 0.76
▸ HDAC8 Q9BY41 8/20 0.76
▸ HDAC3 O15379 7/20 0.76
▸ NCOR2 Q9Y618 4/20 0.76
▸ HDAC6 Q9UBN7 5/20 0.64
▸ HDAC5 Q9UQL6 2/20 0.64
▸ ALOX5 P09917 1/20 0.60
▸ HDAC10 Q969S8 3/20 0.56
▸ HDAC11 Q96DB2 3/20 0.56
▸ HDAC4 P56524 2/20 0.56
▸ HDAC9 Q9UKV0 2/20 0.56
▸ MEP1B Q16820 1/20 0.53
▸ BMP1 P13497 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.51
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ OPRK1 P41145 1/20 0.50

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
SCHEMBL8285508 0.94 HDAC1 (0.84) HDAC1HDAC2HDAC8HDAC3NCOR2
SCHEMBL20952239 0.91 HDAC1 (0.91) HDAC1HDAC2HDAC8HDAC3NCOR2
SCHEMBL13965309 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3NCOR2
SCHEMBL22439788 0.83 HDAC1 (0.68) HDAC1HDAC2HDAC8HDAC3NCOR2
SCHEMBL19478284 0.81 HDAC1 (0.79) HDAC1HDAC2HDAC8HDAC3NCOR2
SCHEMBL22450018 0.81 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC3NCOR2
SCHEMBL13965291 0.80 HDAC1 (0.69) HDAC1HDAC2HDAC8HDAC3NCOR2
SCHEMBL13783921 0.80 HDAC1 (0.83) HDAC1HDAC2HDAC8HDAC3NCOR2
SCHEMBL13965297 0.79 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3NCOR2
SCHEMBL8285512 0.79 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3NCOR2

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
WO-2020193431-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-10-01 — — WO disclosed
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