SCHEMBL19831608

SCHEMBL19831608

Nc1cc(F)ccc1NC(=O)c1ccc(COc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.75
HDAC2 Q92769 9/20 0.75
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
RXFP1 Q9HBX9 2/20 0.67
LMNA P02545 1/20 0.67
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SENP7 Q9BQF6 2/20 0.63
CASP3 P42574 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TAAR1 Q96RJ0 1/20 0.63
HDAC3 O15379 11/20 0.62
NCOR2 Q9Y618 10/20 0.62
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
SENP8 Q96LD8 1/20 0.56
SENP6 Q9GZR1 1/20 0.56

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
SCHEMBL19831609 0.86 HDAC1 (1.00) HDAC1HDAC2MEN1KMT2ARXFP1
SCHEMBL19831610 0.85 HDAC1 (0.81) HDAC1HDAC2MEN1KMT2ARXFP1
SCHEMBL15553332 0.82 HDAC1 (1.00) HDAC1HDAC2MEN1KMT2AHDAC3
SCHEMBL29903248 0.82 HDAC1 (1.00) HDAC1HDAC2MEN1KMT2AHDAC3
SCHEMBL17833424 0.80 MEN1 (1.00) HDAC1HDAC2MEN1KMT2ARXFP1
SCHEMBL3752732 0.80 HDAC1 (0.78) HDAC1HDAC2HDAC3NCOR2
SCHEMBL4971049 0.80 HDAC1 (0.54) HDAC1HDAC2MEN1KMT2ANPC1
SCHEMBL5089315 0.80 HDAC1 (0.59) HDAC1HDAC2MEN1KMT2ARXFP1
SCHEMBL15551664 0.79 HDAC1 (1.00) HDAC1HDAC2MEN1KMT2ANPC1
SCHEMBL8241099 0.79 HDAC1 (0.76) HDAC1HDAC2HDAC3NCOR2

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