SCHEMBL8314240

SCHEMBL8314240

COc1cc(/C=C/c2nc3c(s2)NCCCC3)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TUBB1 Q9H4B7 11/20 0.40
TUBB4A P04350 10/20 0.40
TUBB P07437 10/20 0.40
TUBA3C P0DPH7 10/20 0.40
TUBA1B P68363 10/20 0.40
TUBA4A P68366 10/20 0.40
TUBB4B P68371 10/20 0.40
TUBB3 Q13509 10/20 0.40
TUBB2A Q13885 10/20 0.40
TUBB8 Q3ZCM7 10/20 0.40

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
SCHEMBL8314245 1.00 KDM4E (0.45) KDM4EALDH1A1GAAMAPTHTT
Hydrochloric Acid SCHEMBL8459129 0.99 KDM4E (0.44) KDM4EALDH1A1GAAMAPTHTT
Hydrochloric Acid SCHEMBL8459126 0.99 KDM4E (0.44) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL9694219 0.87 ALDH1A1 (0.45) ALDH1A1MAPTHPGDTUBB1TUBB4A
SCHEMBL9694216 0.87 ALDH1A1 (0.45) ALDH1A1MAPTHPGDTUBB1TUBB4A
Hydrochloric Acid SCHEMBL8316467 0.86 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDTUBB1
Hydrochloric Acid SCHEMBL8316464 0.86 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDTUBB1
SCHEMBL8315265 0.86 PARP1 (0.46) KDM4EGAAMAPTMAPK1TUBB1
SCHEMBL8315262 0.86 PARP1 (0.46) KDM4EGAAMAPTMAPK1TUBB1
SCHEMBL8316322 0.84 APP (0.46) ALDH1A1GAAMAPTHPGDMEN1

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 2 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