SCHEMBL8316319

SCHEMBL8316319

COc1cc(/C=C/c2nc3c(s2)NCCCC3)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TTR P02766 1/20 0.45
NFE2L2 Q16236 1/20 0.44
MMP9 P14780 3/20 0.44
ALOX5 P09917 3/20 0.44
ALOX12 P18054 2/20 0.44
NFKB1 P19838 2/20 0.44
STAT3 P40763 2/20 0.44
NFKB2 Q00653 2/20 0.44

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
SCHEMBL8316322 1.00 APP (0.46) APPMAPTMEN1NPC1POLB
SCHEMBL8315945 0.92 APP (0.45) APPMEN1KMT2AALDH1A1ALOX5
SCHEMBL8315946 0.92 APP (0.45) APPMEN1KMT2AALDH1A1ALOX5
Hydrochloric Acid SCHEMBL8317323 0.91 APP (0.44) APPMEN1KMT2AALDH1A1ALOX5
Hydrochloric Acid SCHEMBL8317325 0.91 APP (0.44) APPMEN1KMT2AALDH1A1ALOX5
SCHEMBL9694219 0.90 ALDH1A1 (0.45) APPMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9694216 0.90 ALDH1A1 (0.45) APPMAPTALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8316464 0.89 ALDH1A1 (0.44) APPMAPTALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8316467 0.89 ALDH1A1 (0.44) APPMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8313688 0.86 TUBB1 (0.36) APPMAPTMEN1NPC1POLB

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