SCHEMBL7280870

SCHEMBL7280870

COc1ccc(OCC2CO2)c(C2Sc3ccccc3NC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NOX1 Q9Y5S8 2/20 0.38
▸ GAA P10253 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 0.83 MAPT (0.43) MAPTSLC2A1MEN1KMT2APOLB
SCHEMBL7288844 0.80 MAPT (0.41) PTPN1MAPTSLC2A1MEN1KMT2A
SCHEMBL7278811 0.80 PTPN1 (0.41) PTPN1MAPTPOLBLMNAALDH1A1
SCHEMBL7282106 0.77 SLC2A1 (0.47) MAPTSLC2A1MEN1KMT2APOLB
SCHEMBL7288807 0.75 POLB (0.42) PTPN1MAPTMEN1KMT2APOLB
SCHEMBL7292068 0.75 HTR1A (0.46) MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9748563 0.74 CYP3A4 (0.44) MAPT
Hydrochloric Acid SCHEMBL7300372 0.73 MEN1 (0.41) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
Fumaric Acid SCHEMBL9747747 0.72 CYP3A4 (0.44) MAPTSLC2A1MEN1KMT2APOLB
Fumaric Acid SCHEMBL9747735 0.72 CYP3A4 (0.44) MAPTSLC2A1MEN1KMT2APOLB

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 2 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 disclosed
EP-0116368-A1 Benzothiazine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-08-22 — — EP disclosed
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