SCHEMBL7352122

SCHEMBL7352122

O=S1(=O)[C]CCNc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NOX1 Q9Y5S8 1/20 0.41
MMP2 P08253 2/20 0.39
PLCG1 P19174 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
KEAP1 Q14145 1/20 0.36
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
GPR3 P46089 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31

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
SCHEMBL925124 0.80 KMT2A (0.43) MEN1KMT2ANOX1MMP2PLCG1
SCHEMBL5848805 0.72 KEAP1 (0.50) MEN1KMT2ANOX1MMP2PLCG1
SCHEMBL88679 0.72 PLCG1 (0.48) MEN1KMT2ANOX1MMP2PLCG1
SCHEMBL7352121 0.69 MEN1 (0.41) MEN1KMT2ANOX1MMP2PLCG1
SCHEMBL8269483 0.69 PLCG1 (0.46) MEN1KMT2ANOX1MMP2PLCG1
SCHEMBL30914644 0.67 PLCG1 (0.52) MEN1KMT2ANOX1MMP2PLCG1
SCHEMBL255959 0.67 PLCG1 (0.52) MEN1KMT2ANOX1MMP2PLCG1
SCHEMBL3491976 0.65 GPR3 (0.34) MEN1KMT2ANOX1CA12CA1
SCHEMBL1542901 0.65 KMT2A (0.45) MEN1KMT2ANOX1MMP2PLCG1
SCHEMBL29437613 0.65 KMT2A (0.45) MEN1KMT2ANOX1MMP2PLCG1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP claimed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed