SCHEMBL7288844

SCHEMBL7288844

COc1ccc(OCCCN(C)C)c(C2Sc3ccccc3NC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NOX1 Q9Y5S8 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL7281969 0.89 MAPT (0.43) MAPTTP53SLC2A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9748563 0.85 CYP3A4 (0.44) MAPTCYP3A4
Fumaric Acid SCHEMBL9747735 0.85 CYP3A4 (0.44) MAPTTP53CYP3A4SLC2A1MEN1
Fumaric Acid SCHEMBL9747747 0.85 CYP3A4 (0.44) MAPTTP53CYP3A4SLC2A1MEN1
SCHEMBL7290621 0.81 MEN1 (0.50) MAPTTP53SLC2A1MEN1KMT2A
SCHEMBL7278961 0.81 CACNA1S (0.52) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL7280870 0.80 PTPN1 (0.42) MAPTTP53SLC2A1MEN1KMT2A
SCHEMBL7292897 0.78 CACNA1S (0.53) MAPTTP53CYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL7300372 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL7282106 0.77 SLC2A1 (0.47) MAPTTP53SLC2A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4584300-A Platelet anti-aggregative- and calcium antagonistic -1,4-benzothiazin-3-one derivatives, compositions, and methods of use therefor SANTEN PHARMACEUTICAL CO., LTD. (JP) 1986-04-22 — — US claimed
EP-0116368-A1 Benzothiazine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-08-22 — — EP claimed
US-4584300-A Platelet anti-aggregative- and calcium antagonistic -1,4-benzothiazin-3-one derivatives, compositions, and methods of use therefor SANTEN PHARMACEUTICAL CO., LTD. (JP) 1986-04-22 — — US disclosed
EP-0116368-A1 Benzothiazine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-08-22 — — EP disclosed
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