SCHEMBL8311389

SCHEMBL8311389

COc1ccc(C=CC(=O)NC2CCCNC(=O)C2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
LY96 Q9Y6Y9 1/20 0.52
PTGS2 P35354 2/20 0.50
MAPT P10636 7/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TNFRSF1A P19438 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL8311715 0.92 L3MBTL1 (0.53) SMN1; SMN2KDM4ELMNAGAAPTGS2
SCHEMBL8311160 0.87 RAB9A (0.53) SMN1; SMN2KDM4ELMNAMAPTALDH1A1
SCHEMBL8311846 0.85 ABCG2 (0.48) SMN1; SMN2LMNAPTGS2MAPTALDH1A1
SCHEMBL8317248 0.84 PTGS2 (0.52) SMN1; SMN2GAAPTGS2MAPTALDH1A1
SCHEMBL8312914 0.83 TP53 (0.53) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL8312438 0.82 PTGS2 (0.45) LMNAPTGS2MAPTALDH1A1MEN1
SCHEMBL8311233 0.82 NFE2L2 (0.50) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL8313606 0.82 TP53 (0.56) SMN1; SMN2KDM4ELMNAMAPTALDH1A1
SCHEMBL8314109 0.82 HDAC8 (0.50) PTGS2MAPTALDH1A1RAB9ACYP1A2
SCHEMBL8317573 0.81 KMT2A (0.52) SMN1; SMN2KDM4ELMNAGAAMAPT

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