SCHEMBL8399007

SCHEMBL8399007

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
MAPT P10636 3/20 0.36
NOX1 Q9Y5S8 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.34
MLYCD O95822 1/20 0.33
CTSK P43235 1/20 0.33

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 0.89 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8399315 0.85 SMN1; SMN2 (0.37) SMN1; SMN2MAPTLMNAKMT2ANPSR1
SCHEMBL8396258 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8396616 0.85 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8400320 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTHSD17B10LMNA
SCHEMBL8399249 0.84 HPGD (0.47) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8395962 0.84 MDM2 (0.43) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8399081 0.84 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTHSD17B10LMNA
SCHEMBL8399145 0.84 ATM (0.41) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8400558 0.84 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10

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 3 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
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed