SCHEMBL7301823

SCHEMBL7301823

COc1ccc(OCCCCl)c(C2Sc3ccccc3N(CC(N)=O)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ CYP3A4 P08684 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ABCB11 O95342 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ SCN7A Q01118 1/20 0.37
▸ CACNA1D Q01668 1/20 0.37

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
SCHEMBL7302763 0.90 CYP3A4 (0.44) POLBCYP3A4LMNAHTTMEN1
SCHEMBL7288807 0.85 POLB (0.42) POLBMAPTLMNAHTTMEN1
SCHEMBL7291385 0.84 CYP3A4 (0.40) POLBCYP3A4MAPTLMNAHTT
SCHEMBL7280075 0.81 POLB (0.46) POLBCYP3A4MAPTLMNAHTT
SCHEMBL10855298 0.80 POLB (0.47) POLBMAPTLMNAHTTMEN1
SCHEMBL7298983 0.78 HDAC3 (0.41) POLBCYP3A4LMNAHTTGSK3B
SCHEMBL7278961 0.78 CACNA1S (0.52) CYP3A4MAPTLMNAHTTMEN1
SCHEMBL7292897 0.77 CACNA1S (0.53) CYP3A4MAPTLMNAHTTMEN1
SCHEMBL9748247 0.76 RAB9A (0.40) POLBCYP3A4MAPTLMNACACNA1S
SCHEMBL4347254 0.76 CYP3A4 (0.54) POLBCYP3A4MAPTALDH1A1HDAC3

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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