SCHEMBL7681176

SCHEMBL7681176

O=C1CC(=O)CC(c2cc(Cl)sc2Cl)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
RECQL P46063 1/20 0.49
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DAO P14920 1/20 0.33
GSK3B P49841 1/20 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
SCHEMBL7683629 0.74 DAO (0.35) PKMKMT2ADAO
SCHEMBL7563284 0.68 MAPT (0.47) TP53RECQLMAPTGAAPOLB
SCHEMBL7689388 0.68 TP53 (0.34) TP53PKM
SCHEMBL7685669 0.67 TP53 (0.62) TP53RECQLMAPTGAAPOLB
SCHEMBL5336238 0.67 TP53 (0.62) TP53RECQLMAPTGAANPSR1
SCHEMBL7678938 0.66
SCHEMBL7683113 0.66 TP53 (0.51) TP53RECQLMAPTGAAPOLB
SCHEMBL6797464 0.65 TP53 (1.00) TP53RECQLMAPTGAAPOLB
SCHEMBL6796450 0.64 TP53 (0.59) TP53RECQLMAPTGAAPOLB
SCHEMBL7687548 0.64 TP53 (0.50) TP53RECQLMAPTGAAPOLB

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
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
EP-0950418-A2 Composition for preventing or treating ischemic disease Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed