SCHEMBL7780836

SCHEMBL7780836

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 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
ATM Q13315 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
DRD2 P14416 3/20 0.35
STING1 Q86WV6 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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) TP53GAAMAPTHTTLMNA
SCHEMBL7345297 0.94 MAPT (0.40) TP53GAAMAPTHTTLMNA
SCHEMBL7346417 0.94 TP53 (0.42) TP53GAAMAPTHTTLMNA
SCHEMBL7348285 0.93 TP53 (0.38) TP53GAAMAPTHTTLMNA
SCHEMBL7343201 0.93 KMT2A (0.40) TP53GAAMAPTHTTLMNA
SCHEMBL7348212 0.92 IRAK4 (0.39) TP53GAAMAPTHTTLMNA
SCHEMBL7336388 0.92 TP53 (0.39) TP53GAAMAPTHTTLMNA
SCHEMBL7337787 0.92 ALDH1A1 (0.41) TP53GAAMAPTHTTLMNA
SCHEMBL7347816 0.91 TP53 (0.38) TP53GAAMAPTHTTLMNA
SCHEMBL7336026 0.91 TP53 (0.38) TP53GAAMAPTHTTLMNA

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
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed