SCHEMBL8313640

SCHEMBL8313640

O=C(C=Cc1ccc(Cl)cc1)NC1CCCNC(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.48
HDAC2 Q92769 1/20 0.44
MAOB P27338 2/20 0.43
USP2 O75604 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8313443 0.88 ALDH1A1 (0.54) POLBL3MBTL1CYP1A2MAOBNPC1
SCHEMBL8315616 0.88 MAPT (0.52) CYP1A2HDAC2NPC1RAB9ATP53
SCHEMBL8310460 0.87 SMN1; SMN2 (0.47) POLBL3MBTL1CYP1A2MAPK1MAOB
SCHEMBL8317248 0.85 PTGS2 (0.52) L3MBTL1CYP1A2HDAC2RAB9ATP53
SCHEMBL8314971 0.83 MAOB (0.48) POLBCYP1A2MAOBNPC1RAB9A
SCHEMBL8311410 0.82 TAS1R3 (0.47) CYP1A2MAOBNPC1RAB9AMAPT
SCHEMBL8313931 0.82 RAB9A (0.45) CYP1A2MAPK1MAOBNPC1RAB9A
SCHEMBL8317110 0.81 MAPT (0.43) POLBCYP1A2MAPK1NPC1RAB9A
SCHEMBL8317238 0.80 MAOB (0.72) CYP1A2MAOBNPC1RAB9ATP53
SCHEMBL8313606 0.80 TP53 (0.56) MAPK1NPC1RAB9ATP53MAPT

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