SCHEMBL9748612

SCHEMBL9748612

COc1ccc(O)c(C2Sc3ccccc3N(C)C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PYGL P06737 1/20 0.40
▸ PYGM P11217 1/20 0.40
▸ CACNA1S Q13698 2/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 2/20 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
SCHEMBL10677516 0.87 LMNA (0.44) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL9830525 0.87 RAB9A (0.49) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL10674390 0.85 LMNA (0.43) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL7288638 0.83 PDPK1 (0.44) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7291385 0.82 CYP3A4 (0.40) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL9748247 0.79 RAB9A (0.40) RAB9AMAPTLMNACACNA1SCYP3A4
SCHEMBL7288930 0.78 RAB9A (0.39) RAB9AMAPTLMNACACNA1SCYP3A4
SCHEMBL9749448 0.77 RAB9A (0.39) RAB9AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL7278811 0.77 PTPN1 (0.41) RAB9AALDH1A1MAPTPKMLMNA
SCHEMBL7282106 0.75 SLC2A1 (0.47) RAB9AALDH1A1KDM4ENPC1MAPT

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
EP-0237573-B1 NOVEL BENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 — — EP disclosed
US-4786635-A THERAPEUTIC AGENTS FOR CIRCULATORY DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-11-22 — — US disclosed
EP-0237573-A1 NOVEL BENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 — — EP disclosed
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
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