SCHEMBL8314971

SCHEMBL8314971

Cc1ccc(C=CC(=O)NC2CCCNC(=O)C2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL8311933 0.89 ALDH1A1 (0.49) MAOBLMNACYP1A2ALDH1A1RAB9A
SCHEMBL8313443 0.87 ALDH1A1 (0.54) MAOBCYP1A2ALDH1A1RAB9ANPC1
SCHEMBL8313606 0.84 TP53 (0.56) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8317238 0.84 MAOB (0.72) MAOBLMNACYP1A2ALDH1A1RAB9A
SCHEMBL8313640 0.83 POLB (0.54) MAOBCYP1A2ALDH1A1RAB9ANPC1
SCHEMBL8315616 0.82 MAPT (0.52) LMNACYP1A2ALDH1A1RAB9ANPC1
SCHEMBL8310460 0.82 SMN1; SMN2 (0.47) MAOBLMNACYP1A2ALDH1A1RAB9A
SCHEMBL8317248 0.82 PTGS2 (0.52) CYP1A2ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL8312845 0.81 RECQL (0.54) LMNACYP1A2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8312914 0.81 TP53 (0.53) MAOBLMNACYP1A2ALDH1A1RAB9A

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