SCHEMBL8315652

SCHEMBL8315652

CC(C)c1ccc(C=Cc2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
FLT3 P36888 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 1/20 0.33
DHFR P00374 1/20 0.32
KDM4E B2RXH2 4/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIM1 P11309 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL8315650 1.00 LMNA (0.39) LMNARAB9ASMN1; SMN2FLT3PTGS1
SCHEMBL8313753 0.86 KDM4E (0.34) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8316004 0.86 FGF23 (0.36) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8316008 0.86 FGF23 (0.36) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8313756 0.86 KDM4E (0.34) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8316803 0.85 ALDH1A3 (0.35) MAPTKDM4E
SCHEMBL8316802 0.85 ALDH1A3 (0.35) MAPTKDM4E
SCHEMBL8310781 0.83 RAB9A (0.38) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8310785 0.83 RAB9A (0.38) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL9306409 0.83 CYP1A1 (0.35) LMNARAB9ASMN1; SMN2NPC1ALDH1A1

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 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
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed