SCHEMBL8317060

SCHEMBL8317060

Cc1ccc(C=Cc2nc3c(s2)NCCCC3)cc1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KAT8 Q9H7Z6 1/20 0.31

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
SCHEMBL8317056 1.00 TUBB1 (0.33) TUBB1NPC1RAB9ALMNAPOLB
Hydrochloric Acid SCHEMBL8317457 0.89 TUBB4A (0.36) TUBB1
Hydrochloric Acid SCHEMBL8317455 0.89 TUBB4A (0.36) TUBB1
SCHEMBL8313688 0.88 TUBB1 (0.36) TUBB1NPC1RAB9APOLBMAPT
SCHEMBL8313691 0.88 TUBB1 (0.36) TUBB1NPC1RAB9APOLBMAPT
SCHEMBL8316004 0.86 FGF23 (0.36) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL8316008 0.86 FGF23 (0.36) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL8315608 0.83 CHAT (0.36) NPC1RAB9AMAPT
SCHEMBL8315610 0.83 CHAT (0.36) NPC1RAB9AMAPT
SCHEMBL9694219 0.82 ALDH1A1 (0.45) TUBB1MAPT

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 4 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