SCHEMBL8316374

SCHEMBL8316374

COc1cccc(-c2nc3c(s2)NCCCC3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NISCH Q9Y2I1 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 1/20 0.43

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 SCHEMBL8312117 0.85 RAB9A (0.42) MAPTRAB9ASMN1; SMN2TDP1NISCH
SCHEMBL8312319 0.81 NPC1 (0.37) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL8316438 0.80 MAPT (0.44) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8314842 0.80 KDM4E (0.44) TDP1KDM4EALDH1A1USP2HSD17B10
Hydrochloric Acid SCHEMBL8315810 0.80 CYP1A1 (0.45) MAPTRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8314142 0.79 NISCH (0.42) MAPTRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8316989 0.79 PTGDR2 (0.38) RAB9ASMN1; SMN2NISCHKDM4EALDH1A1
SCHEMBL8314954 0.79 MAOB (0.44) SMN1; SMN2TP53LMNAADORA3ADORA2A
Hydrochloric Acid SCHEMBL8315182 0.77 PARP1 (0.37) MAPTTDP1KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL8311789 0.77 RELA (0.42) MAPTRELANPC1MEN1TP53

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