SCHEMBL7288310

SCHEMBL7288310

CC(=O)Oc1ccc(C2Sc3ccccc3N(CC(N)=O)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ ABCB11 O95342 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ CACNA1S Q13698 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ CACNA1F O60840 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ SCN4A P35499 1/20 0.44
▸ SCN7A Q01118 1/20 0.44
▸ CACNA1D Q01668 1/20 0.44
▸ PLAUR Q03405 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ SCN5A Q14524 1/20 0.44

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
SCHEMBL7281552 0.90 CYP3A4 (0.45) TSHRCYP3A4LMNAHTTABCB11
SCHEMBL7291421 0.85 CYP2C19 (0.41) TSHRCYP3A4LMNAHTTABCB11
SCHEMBL10860777 0.77 LMNA (0.50) TSHRCYP3A4LMNAHTTABCB11
SCHEMBL20987671 0.74 GSK3B (0.46) TSHRKMT2ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL10858951 0.74 ACE (0.43) TSHRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10512983 0.73 SMN1; SMN2 (0.47) LMNAHTTKCNH2THRBSMN1; SMN2
SCHEMBL10509803 0.73 PDPK1 (0.47) CACNA1CTHRB
SCHEMBL10651624 0.72 NPSR1 (0.58) TSHRHTTNPSR1SMN1; SMN2L3MBTL1
SCHEMBL20987594 0.71 KDM4E (0.50) TSHRLMNAHTTBCHEKDM4E
SCHEMBL9802180 0.71 CYP2C19 (0.44) TSHRCYP3A4LMNAHTTABCB11

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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