SCHEMBL8399264

SCHEMBL8399264

CCOC(=O)CCC(=O)N(CC#N)c1cccc(SC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 3/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GHSR Q92847 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
POLQ O75417 1/20 0.34
HTT P42858 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
SCHEMBL8397982 0.92 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1MAPTLMNA
SCHEMBL8399225 0.90 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1MAPTLMNA
SCHEMBL8399315 0.90 SMN1; SMN2 (0.37) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL8396593 0.86 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPTCYP4F2CYP4A11
SCHEMBL8395198 0.86 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1MAPTLMNA
SCHEMBL8398292 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTKMT2ARAB9A
SCHEMBL8395141 0.84 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EALDH1A1MAPTLMNA
SCHEMBL8398241 0.84 SMN1; SMN2 (0.52) SMN1; SMN2MAPTLMNACYP4F2CYP4A11
SCHEMBL8399240 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CYP4F2CYP4A11MEN1
SCHEMBL8398077 0.83 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1CYP4F2CYP4A11

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