SCHEMBL7337409

SCHEMBL7337409

COc1cc(C(=O)N(C)c2ccc(C)cc2OC)ccc1NC(=O)c1ccccc1OCCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
HSP90AA1 P07900 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNMA1 Q12791 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BRPF1 P55201 2/20 0.43
BRD4 O60885 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MELK Q14680 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7337781 0.98 TP53 (0.47) TP53GAAMAPTHTTHSP90AA1
Hydrochloric Acid SCHEMBL7339559 0.97 TP53 (0.46) TP53GAAMAPTHTTHSP90AA1
SCHEMBL7337957 0.97 TP53 (0.46) TP53GAAMAPTHTTHSP90AA1
Hydrochloric Acid SCHEMBL7337694 0.96 TP53 (0.45) TP53GAAMAPTHTTHSP90AA1
SCHEMBL7345808 0.94 KCNMA1 (0.49) TP53GAAMAPTHTTHSP90AA1
SCHEMBL7778655 0.93 TP53 (0.42) TP53GAAMAPTHTTHSP90AA1
SCHEMBL7340568 0.91 TP53 (0.41) TP53GAAMAPTHTTHSP90AA1
SCHEMBL7339638 0.91 BRD4 (0.43) TP53GAAMAPTHTTHSP90AA1
SCHEMBL7773802 0.91 TP53 (0.41) TP53GAAMAPTHTTHSP90AA1
Hydrochloric Acid SCHEMBL7346913 0.91 BRD4 (0.42) TP53GAAMAPTHTTHSP90AA1

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