SCHEMBL7563284

SCHEMBL7563284

O=C1CC(=O)CC(c2ccc(Cl)s2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GSK3B P49841 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F2 P00734 1/20 0.31
DAO P14920 1/20 0.31
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31

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
SCHEMBL7560772 0.77 MAPT (0.42) MAPTGAATP53RECQLKMT2A
SCHEMBL14709145 0.77
SCHEMBL1176883 0.69 MAPT (0.63) MAPTGAATP53RECQLKMT2A
SCHEMBL10672428 0.69 MAPT (0.77) MAPTGAATP53RECQLKMT2A
SCHEMBL14034738 0.68 TSHR (0.34) GAAALDH1A1HPGDGSK3BF2
SCHEMBL6750224 0.68 MAPT (0.61) MAPTGAATP53RECQLKMT2A
SCHEMBL7681176 0.68 TP53 (0.49) MAPTGAATP53RECQLKMT2A
SCHEMBL1781122 0.67 MAPT (0.57) MAPTGAATP53RECQLKMT2A
SCHEMBL562614 0.64 MAPT (1.00) MAPTGAATP53RECQLKMT2A
SCHEMBL7559921 0.64 TP53 (0.49) MAPTGAATP53RECQLKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229019-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed