SCHEMBL8396118

SCHEMBL8396118

CCOC(=O)CCC(=O)N(Cc1nc2cc(F)cc(F)c2s1)c1cccc(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1B1 P15121 4/20 0.35
MAOB P27338 1/20 0.35
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
GRM2 Q14416 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL8398076 0.93 SMN1; SMN2 (0.39) SMN1; SMN2HTTAKR1B1LTB4R2LMNA
SCHEMBL8396078 0.91 LTB4R2 (0.40) MEN1KMT2AAKR1B1CYSLTR2CYSLTR1
SCHEMBL8400241 0.91 SMN1; SMN2 (0.42) SMN1; SMN2AKR1B1MAOBLTB4R2
SCHEMBL8399130 0.90 SMN1; SMN2 (0.41) SMN1; SMN2HTTMEN1KMT2AAKR1B1
SCHEMBL8395933 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AAKR1B1
SCHEMBL8396378 0.89 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AAKR1B1LTB4R2
SCHEMBL8396412 0.89 SMN1; SMN2 (0.40) SMN1; SMN2HTTMAOBCYSLTR2CYSLTR1
SCHEMBL8399334 0.89 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1MAOBLTB4R2LMNA
SCHEMBL8400345 0.89 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AAKR1B1MAOB
SCHEMBL8396428 0.87 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AAKR1B1LTB4R2

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