SCHEMBL7348285

SCHEMBL7348285

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
STING1 Q86WV6 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNMA1 Q12791 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
DRD2 P14416 1/20 0.35

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 0.95 TP53 (0.42) TP53GAAMAPTHTTATM
SCHEMBL7347816 0.94 TP53 (0.38) TP53GAASTING1MAPTHTT
SCHEMBL7336388 0.94 TP53 (0.39) TP53GAASTING1MAPTHTT
SCHEMBL7345297 0.94 MAPT (0.40) TP53GAASTING1MAPTHTT
SCHEMBL7346417 0.94 TP53 (0.42) TP53GAAMAPTHTTATM
SCHEMBL7780836 0.93 TP53 (0.38) TP53GAASTING1MAPTHTT
SCHEMBL7343201 0.93 KMT2A (0.40) TP53GAAMAPTHTTATM
SCHEMBL7348212 0.92 IRAK4 (0.39) TP53GAAMAPTHTTATM
SCHEMBL7337787 0.92 ALDH1A1 (0.41) TP53GAAMAPTHTTLMNA
SCHEMBL7344076 0.91 TP53 (0.36) TP53GAASTING1MAPTHTT

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