SCHEMBL7286076

SCHEMBL7286076

Nc1ccc(Cc2cccs2)cc1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PNP P00491 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ADRA1D P25100 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PIK3CD O00329 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
SCHEMBL28047877 0.84 KCNH2 (0.46) PTGS1PTGS2TAAR1L3MBTL1MEN1
SCHEMBL723523 0.78 GAA (0.54) MEN1KMT2APOLBCYP3A4KDM4E
SCHEMBL7294757 0.74 CYP3A4 (0.52) PTGS1PTGS2TAAR1L3MBTL1MEN1
SCHEMBL27071197 0.74 MAOA (0.46) PTGS1PTGS2TAAR1L3MBTL1CYP3A4
SCHEMBL7285039 0.73 CALM1 (0.48) MEN1KMT2APOLBCYP3A4KDM4E
SCHEMBL7283943 0.72 PRMT6 (0.41) MEN1KMT2APOLBCYP3A4KDM4E
SCHEMBL29337530 0.71 LTA4H (0.57) PTGS1PTGS2TAAR1MEN1KMT2A
SCHEMBL8515024 0.71 GAA (0.47) MEN1KMT2APOLBCYP3A4KDM4E
SCHEMBL6222184 0.70 CA1 (0.57) PTGS1PTGS2TAAR1KDM4EGAA
SCHEMBL9625952 0.70 CYP2D6 (0.49) PTGS1PTGS2TAAR1CYP3A4GAA

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-0353032-B1 1,5-BENZOTHIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS Sankyo Company Limited (JP) 1992-02-26 — — EP disclosed
US-5002942-A Calcium channel blockers for cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1991-03-26 — — US disclosed
EP-0353032-A1 1,5-benzothiazepine derivatives, their preparation and their use in the treatment of cardiovascular disorders Sankyo Company Limited (JP) 1990-01-31 — — EP disclosed
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