SCHEMBL7680873

SCHEMBL7680873

O=C1C=C(Cl)CC(c2ccccc2Cl)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
RECQL P46063 1/20 0.61
LDHA P00338 2/20 0.44
LDHB P07195 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
XBP1 P17861 1/20 0.43
SLC6A3 Q01959 3/20 0.40
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR6 P50406 1/20 0.39
SLC6A2 P23975 3/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
GRM2 Q14416 1/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL7681238 0.83 TP53 (0.57) TP53RECQLLDHALDHBSMN1; SMN2
SCHEMBL6804819 0.83 TP53 (0.57) TP53RECQLLDHALDHBSMN1; SMN2
SCHEMBL7568804 0.83 TP53 (0.57) TP53RECQLLDHALDHBSMN1; SMN2
SCHEMBL31356762 0.83 RECQL (0.57) TP53RECQLLDHALDHBSMN1; SMN2
SCHEMBL427764 0.79 TP53 (0.85) TP53RECQLLDHALDHBSMN1; SMN2
SCHEMBL6797464 0.76 TP53 (1.00) TP53RECQLLDHALDHBSMN1; SMN2
SCHEMBL14580255 0.74 TP53 (0.65) TP53RECQLLDHALDHBSMN1; SMN2
SCHEMBL10724629 0.74 ADRB1 (0.49) TP53RECQLLDHASMN1; SMN2ALDH1A1
SCHEMBL16880227 0.73 TP53 (0.62) TP53RECQLLDHALDHBSMN1; SMN2
SCHEMBL7687320 0.73 TP53 (0.46) TP53RECQLLDHALDHBSMN1; SMN2

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