SCHEMBL8316119

SCHEMBL8316119

CCOC(=O)Oc1ccc(-c2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
CA2 P00918 1/20 0.37
CDC7 O00311 6/20 0.37
DBF4 Q9UBU7 6/20 0.37
TRPM8 Q7Z2W7 5/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Hydrochloric Acid SCHEMBL8314991 0.80 RARA (0.35) CDC7DBF4TRPM8RARARARB
Hydrochloric Acid SCHEMBL8312117 0.78 RAB9A (0.42) ALOX5MAPTRAB9ANPC1PKM
SCHEMBL8315862 0.78 ALOX5 (0.44) ALOX5MAPTRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL8315893 0.74 MAPT (0.38) ALOX5TRPM8MAPTRAB9ANPC1
SCHEMBL8022992 0.73 MGAM (0.46) RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL8316299 0.73 LOXL2 (0.39)
SCHEMBL8312025 0.73 L3MBTL1 (0.43) CA2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8310827 0.72 PIK3CD (0.40) CDC7DBF4MAPTRAB9ANPC1
SCHEMBL8312319 0.72 NPC1 (0.37) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL8314142 0.70 NISCH (0.42) MAPTRAB9ANPC1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed