SCHEMBL8396258

SCHEMBL8396258

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 2/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 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
SCHEMBL8395198 0.92 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL8399170 0.90 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTLMNATDP1
SCHEMBL8399331 0.88 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL8395843 0.87 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL8397982 0.87 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL8400187 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTLMNATDP1
SCHEMBL8399091 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTLMNATDP1
SCHEMBL8399169 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL8400489 0.86 MAPK1 (0.44) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL8399007 0.85 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA

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