SCHEMBL8398973

SCHEMBL8398973

CCOC(=O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.36
LMNA P02545 3/20 0.34
MAOB P27338 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
CSNK1D P48730 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.33
AKR1B1 P15121 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 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
SCHEMBL8398046 0.93 SMN1; SMN2 (0.39) SMN1; SMN2LMNA
SCHEMBL8398966 0.91 AKR1B1 (0.38) HTTLMNACSNK1DLTB4R2AKR1B1
SCHEMBL8398045 0.91 SMN1; SMN2 (0.42) SMN1; SMN2HTTLMNALTB4R2AKR1B1
SCHEMBL8400310 0.90 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAOBLTB4R2AKR1B1
SCHEMBL8399196 0.89 SMN1; SMN2 (0.40) SMN1; SMN2MAOBLTB4R2AKR1B1
SCHEMBL8396319 0.89 SMN1; SMN2 (0.40) SMN1; SMN2HTTAKR1B1
SCHEMBL8397106 0.89 SMN1; SMN2 (0.40) SMN1; SMN2HTTLMNAMAOBF10
SCHEMBL8396242 0.88 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1
SCHEMBL8399715 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HTTAKR1B1
SCHEMBL8398030 0.86 SMN1; SMN2 (0.38) SMN1; SMN2HTTAKR1B1

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