SCHEMBL7347241

SCHEMBL7347241

COc1ccc(COCCCc2ccccc2C(=O)SC)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
SLC6A5 Q9Y345 3/20 0.41
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
ABCB1 P08183 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL8608367 0.88 RAB9A (0.43) L3MBTL1TDP1ALDH1A1KMT2AHPGD
SCHEMBL7778557 0.85 L3MBTL1 (0.53) L3MBTL1TDP1ALDH1A1KMT2ANPC1
SCHEMBL7346161 0.81 L3MBTL1 (0.58) L3MBTL1TDP1ALDH1A1KMT2ASLC6A5
SCHEMBL7347243 0.81 L3MBTL1 (0.53) L3MBTL1TDP1ALDH1A1KMT2ASLC6A5
SCHEMBL29026477 0.79 LTA4H (0.49) L3MBTL1TDP1ALDH1A1KMT2AHPGD
SCHEMBL293291 0.79 L3MBTL1 (0.57) L3MBTL1TDP1ALDH1A1NPC1SLC6A5
SCHEMBL19210361 0.73 L3MBTL1 (0.88) L3MBTL1TDP1ALDH1A1KMT2AABCB1
SCHEMBL7336813 0.72 FOLH1 (0.40) ALDH1A1
SCHEMBL28284271 0.72 TSHR (0.42) L3MBTL1TDP1ALDH1A1HPGDTP53
SCHEMBL14339781 0.71 CALM1 (0.53) ALDH1A1NPC1SLC6A5USP2TP53

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