SCHEMBL8324893

SCHEMBL8324893

CC(=O)NC(c1ccc(Cl)cc1)c1cccc(C2OCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PRCP P42785 7/20 0.41
HSP90AA1 P07900 1/20 0.39
PAX8 Q06710 1/20 0.39
CNR1 P21554 2/20 0.39
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR3 Q99500 1/20 0.37
SLC6A9 P48067 3/20 0.37
SLC6A5 Q9Y345 2/20 0.37
SCN8A Q9UQD0 1/20 0.36

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
SCHEMBL8321301 0.87 HPGDS (0.43) KDM4EMEN1GAAKMT2APRCP
SCHEMBL8318902 0.86 ALDH1A1 (0.47) KDM4EGAAKMT2APOLBS1PR2
SCHEMBL1732731 0.76 CNR1 (0.59) KDM4EMEN1GAAKMT2AHSP90AA1
SCHEMBL8324891 0.74 OPRM1 (0.36) MAPK1S1PR3
SCHEMBL8317963 0.73 S1PR2 (0.44) KDM4EMEN1GAAKMT2AS1PR2
SCHEMBL2934366 0.72 SRC (0.46) MEN1GAAKMT2AMAPK1
SCHEMBL27260297 0.71 USP19 (0.36) KDM4EGAAMAPK1
SCHEMBL8317996 0.69 TP53 (0.46)
SCHEMBL27796397 0.68 ALDH1A1 (0.38) KDM4EMEN1KMT2A
SCHEMBL7407356 0.68 CHRNA7 (0.31)

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-2004071401-A2 HYDROXAMIC ACID DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS (HDCA) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 WO disclosed