SCHEMBL7347243

SCHEMBL7347243

COC(=S)c1ccccc1CCCOCc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
ABCB1 P08183 2/20 0.40
PPARG P37231 1/20 0.40
SLC6A5 Q9Y345 3/20 0.40
CALM1 P0DP23 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8608369 0.89 L3MBTL1 (0.41) L3MBTL1TDP1PPARGMEN1KMT2A
SCHEMBL7346161 0.89 L3MBTL1 (0.58) L3MBTL1TDP1ABCB1SLC6A5CALM1
SCHEMBL7778557 0.82 L3MBTL1 (0.53) L3MBTL1TDP1ABCB1SLC6A5CALM1
SCHEMBL7347241 0.81 L3MBTL1 (0.51) L3MBTL1TDP1ABCB1SLC6A5MEN1
SCHEMBL293291 0.75 L3MBTL1 (0.57) L3MBTL1TDP1ABCB1SLC6A5ALDH1A1
SCHEMBL19210361 0.75 L3MBTL1 (0.88) L3MBTL1TDP1ABCB1CALM1MEN1
SCHEMBL7889248 0.74 L3MBTL1 (0.55) L3MBTL1TDP1CALM1MEN1KMT2A
SCHEMBL7336817 0.73 LMNA (0.41) KMT2AALDH1A1LMNA
SCHEMBL2449734 0.72 LIPG (0.49) PPARGKMT2AALDH1A1MAPK1LMNA
SCHEMBL4154352 0.72 L3MBTL1 (0.55) L3MBTL1TDP1ABCB1CALM1MEN1

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