SCHEMBL7339526

SCHEMBL7339526

COc1c(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)NC(C)C(N)=O)c1N

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.34
HDAC1 Q13547 4/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PSMB1 P20618 2/20 0.31
PSMB5 P28074 2/20 0.31
PSMB2 P49721 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP3A4 P08684 1/20 0.31
DRD2 P14416 2/20 0.31

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
SCHEMBL7347827 0.92 MAPT (0.36) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL7344082 0.91 HDAC3 (0.35) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL7338581 0.91 HDAC3 (0.36) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL7338022 0.89 ALDH1A1 (0.35) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL7348272 0.89 HDAC3 (0.35) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL7348293 0.88 MAPT (0.37) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL7336405 0.88 MAPT (0.37) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL7346426 0.88 MAPT (0.41) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL7346836 0.87 HDAC3 (0.36) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL7345651 0.87 DRD2 (0.35) HDAC3HDAC1DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed