SCHEMBL7686920

SCHEMBL7686920

NC1=CC(=O)CC(c2c(Cl)cccc2Cl)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 9/20 0.44
LDHB P07195 4/20 0.40
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.35
TP53 P04637 1/20 0.35
RECQL P46063 1/20 0.35
HTR5A P47898 3/20 0.34
HTR1A P08908 2/20 0.34
HTR1D P28221 2/20 0.34
HTR2C P28335 2/20 0.34
HTR7 P34969 2/20 0.34
HTR2A P28223 1/20 0.34
HTR3A P46098 1/20 0.34
HTR6 P50406 1/20 0.34
CACNB4 O00305 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
SCHEMBL7685991 0.82 TP53 (0.42) LDHALDHBPOLBSMN1; SMN2ALDH1A1
SCHEMBL7568804 0.81 TP53 (0.57) LDHALDHBPOLBSMN1; SMN2ALDH1A1
SCHEMBL6804819 0.81 TP53 (0.57) LDHALDHBPOLBSMN1; SMN2ALDH1A1
SCHEMBL4421957 0.73 SMN1; SMN2 (0.56) POLBSMN1; SMN2ALDH1A1HTTRECQL
SCHEMBL5309411 0.72 TP53 (0.63) LDHALDHBPOLBSMN1; SMN2MAP1LC3B
SCHEMBL6074983 0.71 TP53 (0.49) LDHALDHBPOLBALDH1A1TP53
SCHEMBL7690082 0.70 POLB (0.36) POLBSMN1; SMN2ALDH1A1ALOX12HTT
SCHEMBL9925967 0.68 POLB (0.67) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL7678960 0.68 POLB (0.67) POLBALDH1A1ALOX12HTTHSD17B10
SCHEMBL7685298 0.67 L3MBTL1 (0.45) POLBSMN1; SMN2ALDH1A1ALOX12HTT

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