SCHEMBL8310822

SCHEMBL8310822

CCOC(=N)c1cccc(-c2nc3c(s2)NCCCC3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CDC7 O00311 3/20 0.33
DBF4 Q9UBU7 3/20 0.33
ACHE P22303 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL8310641 0.89 RARA (0.35) TRPM8NPC1PKMNFKB1RAB9A
Hydrochloric Acid SCHEMBL8314991 0.88 RARA (0.35) TRPM8NPC1PKMNFKB1RAB9A
Hydrochloric Acid SCHEMBL8314363 0.82 MEN1 (0.32) MEN1MAPTKMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL8316268 0.82 MAPT (0.32) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8316374 0.76 MAPT (0.49) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8312319 0.75 NPC1 (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8316119 0.74 ALOX5 (0.40) TRPM8NPC1PKMNFKB1RAB9A
SCHEMBL8316438 0.74 MAPT (0.44) TRPM8NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8315862 0.72 ALOX5 (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8316989 0.72 PTGDR2 (0.38) NPC1RAB9ASMN1; SMN2KMT2AACHE

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