SCHEMBL8317573

SCHEMBL8317573

COc1cc(C=CC(=O)NC2CCCNC(=O)C2)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
METAP2 P50579 2/20 0.50
MAPK1 P28482 1/20 0.49
OPRK1 P41145 1/20 0.49
PSMB11 A5LHX3 1/20 0.47
PSMA7 O14818 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMA1 P25786 1/20 0.47
PSMA2 P25787 1/20 0.47
PSMA3 P25788 1/20 0.47
PSMA4 P25789 1/20 0.47
PSMB8 P28062 1/20 0.47
PSMB9 P28065 1/20 0.47
PSMA5 P28066 1/20 0.47
PSMB4 P28070 1/20 0.47
PSMB6 P28072 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB10 P40306 1/20 0.47
PSMB3 P49720 1/20 0.47
PSMB2 P49721 1/20 0.47

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
SCHEMBL8313606 0.88 TP53 (0.56) KMT2AMAPK1KDM4EALDH1A1HPGD
SCHEMBL8312438 0.87 PTGS2 (0.45) KMT2AALDH1A1LMNATP53MAPT
SCHEMBL8311933 0.85 ALDH1A1 (0.49) ALDH1A1LMNATP53MAPTRAB9A
SCHEMBL8312845 0.84 RECQL (0.54) KMT2AMAPK1ALDH1A1HPGDLMNA
SCHEMBL8311846 0.83 ABCG2 (0.48) KMT2AMAPK1OPRK1ALDH1A1LMNA
SCHEMBL8317248 0.83 PTGS2 (0.52) ALDH1A1HTTSMN1; SMN2GAATP53
SCHEMBL8311233 0.82 NFE2L2 (0.50) KMT2AKDM4EALDH1A1HPGDHTT
SCHEMBL9205578 0.82 MAPK1 (0.68) KMT2AMAPK1OPRK1MEN1POLB
SCHEMBL8312914 0.81 TP53 (0.53) KMT2AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL8311160 0.81 RAB9A (0.53) KMT2AKDM4EALDH1A1HPGDLMNA

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