SCHEMBL7687548

SCHEMBL7687548

Cc1ccc(Cl)cc1C1CC(=O)CC(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TERT O14746 1/20 0.36
SRD5A1 P18405 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7560192 0.82 TP53 (0.44) TP53RECQLMAPTGAACA1
SCHEMBL7685669 0.82 TP53 (0.62) TP53RECQLMAPTGAANPSR1
SCHEMBL31462733 0.81 MAPT (0.43) TP53MAPTL3MBTL1CYP3A4TERT
SCHEMBL7683113 0.81 TP53 (0.51) TP53RECQLMAPTGAAL3MBTL1
SCHEMBL30368326 0.79 TP53 (0.42) TP53RECQLMAPTGAACA1
SCHEMBL6794592 0.79 SLC9A1 (0.43) TP53RECQLMAPTGAAL3MBTL1
SCHEMBL7685135 0.79 TP53 (0.46) TP53RECQLMAPTPOLB
SCHEMBL5336238 0.79 TP53 (0.62) TP53RECQLMAPTGAANPSR1
SCHEMBL3406995 0.77 CYP3A4 (0.45) CYP3A4CHRNB2CHRNA4
SCHEMBL7685298 0.76 L3MBTL1 (0.45) TP53MAPTL3MBTL1CYP3A4SRD5A1

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