SCHEMBL7342178

SCHEMBL7342178

CCOC(=O)CCCCCOc1cc(C)ccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNMA1 Q12791 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7781308 0.94 MEN1 (0.38) KMT2AMEN1TDP1KCNMA1TP53
SCHEMBL7337787 0.93 ALDH1A1 (0.41) KMT2AMEN1TDP1KCNMA1TP53
SCHEMBL7347816 0.93 TP53 (0.38) KMT2AMEN1TDP1KCNMA1TP53
SCHEMBL7780810 0.93 TP53 (0.42) KMT2AMEN1TDP1KCNMA1TP53
SCHEMBL7347095 0.92 MEN1 (0.36) KMT2AMEN1TDP1KCNMA1TP53
SCHEMBL7344076 0.92 TP53 (0.36) KMT2AMEN1TDP1KCNMA1TP53
SCHEMBL7348212 0.91 IRAK4 (0.39) KCNMA1TP53GAAMAPTNPSR1
SCHEMBL7346417 0.91 TP53 (0.42) KMT2AMEN1TDP1KCNMA1TP53
SCHEMBL7337059 0.91 TP53 (0.36) KMT2AMEN1TDP1KCNMA1TP53
SCHEMBL7338566 0.91 HDAC3 (0.37) KMT2AMEN1TDP1KCNMA1TP53

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