SCHEMBL8316012

SCHEMBL8316012

CC(=S)Nc1ccc(-c2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.34
RAB9A P51151 9/20 0.34
MAPT P10636 9/20 0.34
KMT2A Q03164 7/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
MEN1 O00255 6/20 0.34
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 6/20 0.34
LMNA P02545 4/20 0.34
HPGD P15428 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SULT1A1 P50225 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
TAS2R38 P59533 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
Hydrochloric Acid SCHEMBL8317268 0.83 APP (0.42) MAPTKMT2AMEN1SULT1A1GAA
SCHEMBL8315862 0.79 ALOX5 (0.44) NPC1RAB9AMAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL8315893 0.78 MAPT (0.38) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8316989 0.77 PTGDR2 (0.38) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL8312319 0.76 NPC1 (0.37) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL8310827 0.76 PIK3CD (0.40) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL8315777 0.76 KDM4E (0.50) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL8311457 0.76 APP (0.43) NPC1RAB9AMAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8311435 0.75 PDE4B (0.30) PDE4BPDE4DALOX5
Hydrochloric Acid SCHEMBL8312117 0.75 RAB9A (0.42) NPC1RAB9AMAPTKMT2ASMN1; SMN2

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