SCHEMBL8312438

SCHEMBL8312438

COc1cc(C=CC(=O)NC2CCCNC(=O)C2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
PARP1 P09874 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 3/20 0.42
MAPT P10636 2/20 0.42
CYP1A1 P04798 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1B1 Q16678 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 1/20 0.40
CCR2 P41597 1/20 0.39

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
SCHEMBL8312914 0.89 TP53 (0.53) TP53CYP1A2MAPTCYP1A1CYP2D6
SCHEMBL8317248 0.89 PTGS2 (0.52) PTGS2TP53CYP1A2MAPTALDH1A1
SCHEMBL8317573 0.87 KMT2A (0.52) TP53MAPTALDH1A1RAB9ALMNA
SCHEMBL8313606 0.84 TP53 (0.56) TP53MAPTALDH1A1RAB9ALMNA
SCHEMBL8311389 0.82 SMN1; SMN2 (0.54) PTGS2CYP1A2MAPTCYP1A1CYP2D6
SCHEMBL8311715 0.82 L3MBTL1 (0.53) PTGS2MAPTALDH1A1LMNAMEN1
SCHEMBL8311933 0.82 ALDH1A1 (0.49) PTGS2TP53CYP1A2MAPTALDH1A1
SCHEMBL8314109 0.82 HDAC8 (0.50) PTGS2CYP1A2MAPTCYP2D6ALDH1A1
SCHEMBL8312845 0.81 RECQL (0.54) PTGS2TP53CYP1A2MAPTCYP2D6
SCHEMBL8313443 0.81 ALDH1A1 (0.54) CYP1A2MAPTALDH1A1RAB9AKMT2A

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