SCHEMBL8400343

SCHEMBL8400343

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.36
LMNA P02545 3/20 0.36
GRM2 Q14416 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PAX8 Q06710 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
MAOB P27338 1/20 0.34
TP53 P04637 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
AKR1B1 P15121 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
SCHEMBL8396213 0.93 SMN1; SMN2 (0.39) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL8399605 0.91 LTB4R2 (0.39) HTTLMNAALDH1A1MAPTPAX8
SCHEMBL8398979 0.90 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL8395834 0.90 SMN1; SMN2 (0.41) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL8396237 0.90 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTMAOBAKR1B1
SCHEMBL8395289 0.89 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL8397061 0.89 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL8399202 0.88 SMN1; SMN2 (0.52) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL8398120 0.88 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1
SCHEMBL8396256 0.87 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1MAPTMEN1

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