SCHEMBL17484001

SCHEMBL17484001

Nc1ccc(-c2ccncc2)cc1NC(=O)/C=C/c1ccc(CNCCC2CC3CC(C2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.47
▸ RARB P10826 1/20 0.44
▸ HDAC2 Q92769 6/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ HDAC3 O15379 4/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ MEF2D Q14814 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17483969 0.84 HDAC1 (0.44) HDAC1RARBHDAC2KDM1AMAOA
SCHEMBL19683181 0.78 HDAC1 (0.56) HDAC1RARBHDAC2KDM1AMAOA
SCHEMBL17483929 0.76 HDAC1 (0.50) HDAC1RARBHDAC2KDM1AMAOA
SCHEMBL19683015 0.74 HDAC1 (0.50) HDAC1RARBHDAC2HDAC3HDAC6
SCHEMBL17483930 0.71 HDAC1 (0.54) HDAC1HDAC2HDAC3
SCHEMBL3860831 0.69 CHRM1 (0.59) HDAC1HDAC2KDM1AHDAC3HDAC6
SCHEMBL17483974 0.69 HDAC1 (0.52) HDAC1RARBHDAC2HDAC3HDAC6
SCHEMBL17483931 0.69 HDAC1 (0.49) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL2133614 0.68 HDAC1 (0.61) HDAC1HDAC2HDAC3
SCHEMBL2133626 0.68 HDAC1 (0.61) HDAC1HDAC2HDAC3

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-2016018795-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-04 — — WO disclosed
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