SCHEMBL7343201

SCHEMBL7343201

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCNC(=O)CCNC(=O)OC(C)(C)C)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNMA1 Q12791 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7780810 0.94 TP53 (0.42) KMT2ATP53GAAMEN1TDP1
SCHEMBL8008277 0.94 HDAC3 (0.39) KMT2ATP53GAAPOLBMEN1
SCHEMBL7345297 0.93 MAPT (0.40) TP53GAAMAPTHTTLMNA
SCHEMBL7346417 0.93 TP53 (0.42) KMT2ATP53GAAMEN1TDP1
SCHEMBL7348260 0.93 MCHR1 (0.37) KMT2ATP53GAAMEN1TDP1
SCHEMBL7338003 0.93 ALDH1A1 (0.39) KMT2ATP53GAAMEN1TDP1
SCHEMBL7337787 0.93 ALDH1A1 (0.41) KMT2ATP53GAAPOLBMEN1
SCHEMBL7780836 0.93 TP53 (0.38) KMT2ATP53GAAMEN1MAPT
SCHEMBL7348285 0.93 TP53 (0.38) KMT2ATP53GAAMEN1MAPT
SCHEMBL7347816 0.92 TP53 (0.38) KMT2ATP53GAAMEN1TDP1

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 3 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
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed