SCHEMBL19831685

SCHEMBL19831685

COc1ccc(OCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.78
HDAC3 O15379 7/20 0.78
HDAC2 Q92769 6/20 0.78
HDAC4 P56524 2/20 0.78
HDAC7 Q8WUI4 2/20 0.78
HDAC10 Q969S8 2/20 0.78
HDAC11 Q96DB2 2/20 0.78
HDAC8 Q9BY41 2/20 0.78
HDAC6 Q9UBN7 2/20 0.78
HDAC9 Q9UKV0 2/20 0.78
HDAC5 Q9UQL6 2/20 0.78
NCOR2 Q9Y618 3/20 0.71
NCOR1 O75376 1/20 0.70
ALDH1A1 P00352 1/20 0.66
MAPT P10636 1/20 0.66
HTT P42858 1/20 0.66
EPHA2 P29317 1/20 0.63
SENP7 Q9BQF6 2/20 0.62
NPC1 O15118 1/20 0.62
CASP3 P42574 1/20 0.62

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
SCHEMBL1066808 0.92 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL19831684 0.90 HDAC1 (0.78) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL19831611 0.90 HDAC1 (0.78) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL19831610 0.90 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL5226034 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL19831686 0.88 SENP7 (0.79) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL19831609 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2415635 0.85 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2295551 0.85 NPC1 (0.71) HDAC1HDAC3HDAC2ALDH1A1MAPT
SCHEMBL24890761 0.84 HDAC1 (0.68) HDAC1HDAC3HDAC2HDAC4HDAC7

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-2018019084-A1 BENZAMIDE COMPOUND AND USE THEREOF IN PREPARING DRUGS INHIBITING CANCER CELL PROLIFERATION AND/OR TREATING CANCER 北京化工大学 2018-02-01 WO disclosed