SCHEMBL7079669

SCHEMBL7079669

CC(C)(C)c1[c]ccc(NC(=O)c2ccccc2I)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RXFP1 Q9HBX9 3/20 0.49
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
NR1H4 Q96RI1 8/20 0.44
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
KCNK9 Q9NPC2 2/20 0.40
KCNK3 O14649 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL21652256 0.78 RXFP1 (0.68) MEN1KMT2ATDP1RXFP1NR1H4
SCHEMBL7083661 0.76 KMT2A (0.74) MEN1KMT2ATDP1RXFP1CA12
SCHEMBL21652187 0.76 MEN1 (0.68) MEN1KMT2ATDP1RXFP1NR1H4
SCHEMBL6830902 0.75 VCP (0.41) MEN1KMT2A
SCHEMBL17376723 0.73 MEN1 (0.70) MEN1KMT2ATDP1RXFP1KCNK9
Benodanil SCHEMBL29402073 0.72 MEN1 (1.00) MEN1KMT2ATDP1RXFP1TP53
Benodanil SCHEMBL18736 0.72 MEN1 (1.00) MEN1KMT2ATDP1RXFP1TP53
SCHEMBL28084402 0.72 MEN1 (0.67) MEN1KMT2ATDP1RXFP1TP53
SCHEMBL23070511 0.71 MEN1 (0.71) MEN1KMT2ATDP1RXFP1NR1H4
SCHEMBL6826008 0.71 SCN10A (0.61) MEN1KMT2ACYP1A2

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-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed