SCHEMBL8313688

SCHEMBL8313688

COc1ccc(/C=C/c2nc3c(s2)NCCCC3)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
FLT3 P36888 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
KCNH2 Q12809 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL8313691 1.00 TUBB1 (0.36) TUBB1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL9694216 0.91 ALDH1A1 (0.45) TUBB1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL9694219 0.91 ALDH1A1 (0.45) TUBB1ALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8316467 0.90 ALDH1A1 (0.44) TUBB1ALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8316464 0.90 ALDH1A1 (0.44) TUBB1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8315945 0.88 APP (0.45) TUBB1ALDH1A1MEN1KMT2AAPP
SCHEMBL8315946 0.88 APP (0.45) TUBB1ALDH1A1MEN1KMT2AAPP
SCHEMBL8315812 0.88 TUBB1 (0.43) TUBB1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8315815 0.88 TUBB1 (0.43) TUBB1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8317056 0.88 TUBB1 (0.33) TUBB1MAPTPOLBRAB9ANPC1

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 claimed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US claimed
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-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed