SCHEMBL8399170

SCHEMBL8399170

CCCOC(=O)CCC(=O)N(CC#N)c1ccc(SCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AR P10275 1/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL8395434 0.94 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPSR1HSD17B10AR
SCHEMBL8399331 0.93 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NPSR1HSD17B10AR
SCHEMBL8396616 0.90 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1NPSR1HSD17B10AR
SCHEMBL8396258 0.90 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1NPSR1HSD17B10MAPT
SCHEMBL8397040 0.88 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1NPSR1HSD17B10AR
SCHEMBL8395843 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1NPSR1HSD17B10MAPT
SCHEMBL8400489 0.85 MAPK1 (0.44) SMN1; SMN2ALDH1A1HSD17B10MAPTLMNA
SCHEMBL8400187 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL8399091 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1NPSR1MAPTLMNA
SCHEMBL8399169 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1NPSR1MAPTLMNA

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
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed