SCHEMBL7346161

SCHEMBL7346161

COc1ccc(COCCCc2ccccc2C(O)=S)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
ABCB1 P08183 2/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM3 P20309 2/20 0.40
CALM1 P0DP23 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
NAAA Q02083 1/20 0.40
LTA4H P09960 1/20 0.40
SLC6A5 Q9Y345 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 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
SCHEMBL7347243 0.89 L3MBTL1 (0.53) L3MBTL1TDP1ABCB1MEN1KMT2A
SCHEMBL7778557 0.84 L3MBTL1 (0.53) L3MBTL1TDP1ABCB1MEN1KMT2A
SCHEMBL7347241 0.81 L3MBTL1 (0.51) L3MBTL1TDP1ABCB1MEN1KMT2A
SCHEMBL293291 0.79 L3MBTL1 (0.57) L3MBTL1TDP1ABCB1USP2TP53
SCHEMBL19210361 0.79 L3MBTL1 (0.88) L3MBTL1TDP1ABCB1MEN1KMT2A
SCHEMBL8608369 0.78 L3MBTL1 (0.41) L3MBTL1TDP1MEN1KMT2ATP53
SCHEMBL7889248 0.75 L3MBTL1 (0.55) L3MBTL1TDP1MEN1KMT2ACALM1
SCHEMBL12394563 0.75 L3MBTL1 (0.97) L3MBTL1TDP1ABCB1MEN1KMT2A
SCHEMBL27615709 0.73 TDP1 (0.77) L3MBTL1TDP1ABCB1MEN1KMT2A
SCHEMBL8338571 0.73 TDP1 (0.77) L3MBTL1TDP1ABCB1MEN1KMT2A

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-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed