SCHEMBL8317248

SCHEMBL8317248

COc1ccc(C=CC(=O)NC2CCCNC(=O)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.52
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8314109 0.93 HDAC8 (0.50) PTGS2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8312438 0.89 PTGS2 (0.45) PTGS2RAB9AMAPTALDH1A1CYP1A2
SCHEMBL8313931 0.88 RAB9A (0.45) PTGS2RAB9AMAPTALDH1A1CYP1A2
SCHEMBL8311410 0.88 TAS1R3 (0.47) RAB9AMAPTCYP1A2
SCHEMBL8313443 0.87 ALDH1A1 (0.54) RAB9AMAPTHTTALDH1A1L3MBTL1
SCHEMBL8312914 0.87 TP53 (0.53) RAB9AMAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL8313606 0.86 TP53 (0.56) RAB9AMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL8313640 0.85 POLB (0.54) HDAC1HDAC2HDAC8HDAC6RAB9A
SCHEMBL8315616 0.85 MAPT (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8314714 0.85 CYP1A2 (0.42) PTGS2RAB9AMAPTHTTNPSR1

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