SCHEMBL8395198

SCHEMBL8395198

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL8396258 0.92 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KDM4EMAPTMAPK1
SCHEMBL8399007 0.89 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8400330 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8395434 0.87 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8399264 0.86 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL8397040 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8395828 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTMAPK1LMNA
SCHEMBL8396622 0.85 SMN1; SMN2 (0.53) SMN1; SMN2MAPTLMNATSHRCYP4F2
SCHEMBL8395306 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL8398077 0.84 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1KDM4ETSHRCYP4F2

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