SCHEMBL8310641

SCHEMBL8310641

CCOC(=N)c1ccc(-c2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.35
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
DGAT1 O75907 1/20 0.35
CDC7 O00311 8/20 0.33
DBF4 Q9UBU7 8/20 0.33
TRPM8 Q7Z2W7 5/20 0.33
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 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
Hydrochloric Acid SCHEMBL8314991 0.99 RARA (0.35) RARARARBRARGDGAT1CDC7
SCHEMBL8310822 0.89 TRPM8 (0.35) RARARARBRARGDGAT1CDC7
SCHEMBL8316119 0.81 ALOX5 (0.40) RARARARBRARGCDC7DBF4
Hydrochloric Acid SCHEMBL8311441 0.80 NQO2 (0.35)
Hydrochloric Acid SCHEMBL8313224 0.80 F10 (0.36)
Hydrochloric Acid SCHEMBL8311435 0.80 PDE4B (0.30)
SCHEMBL8315862 0.79 ALOX5 (0.44) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8315777 0.78 KDM4E (0.50) NPC1PKMNFKB1RAB9ANFKB2
Hydrochloric Acid SCHEMBL8315893 0.76 MAPT (0.38) TRPM8NPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8312117 0.75 RAB9A (0.42) NPC1PKMRAB9ASMN1; SMN2MAPT

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