SCHEMBL7687320

SCHEMBL7687320

CC(=O)CSC1=CC(=O)CC(c2ccccc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
RECQL P46063 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LDHA P00338 2/20 0.41
LDHB P07195 2/20 0.41
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 4/20 0.38
ALOX15 P16050 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
XBP1 P17861 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 1/20 0.35

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
SCHEMBL31356762 0.73 RECQL (0.57) TP53RECQLLDHALDHBALDH1A1
SCHEMBL7680873 0.73 TP53 (0.61) TP53RECQLLDHALDHBALDH1A1
SCHEMBL7560783 0.72 TP53 (0.56) TP53RECQLLDHALDHBALDH1A1
SCHEMBL7568804 0.70 TP53 (0.57) TP53RECQLLDHALDHBALDH1A1
SCHEMBL6804819 0.70 TP53 (0.57) TP53RECQLLDHALDHBALDH1A1
SCHEMBL7681238 0.70 TP53 (0.57) TP53RECQLLDHALDHBALDH1A1
SCHEMBL7565943 0.70 TP53 (0.53) TP53RECQLLDHALDHBALDH1A1
SCHEMBL427764 0.67 TP53 (0.85) TP53RECQLLDHALDHBALDH1A1
SCHEMBL7568239 0.66 TP53 (0.56) TP53RECQLLDHALDHBALDH1A1
SCHEMBL806076 0.66 POLB (0.55) MEN1KMT2AALDH1A1HPGDHSD17B10

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 2 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