SCHEMBL9514857

SCHEMBL9514857

CCOC(=O)CCCNc1cccc(C=Cc2nc3ccccc3s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
PDE5A O76074 1/20 0.45
ELANE P08246 1/20 0.45
MAPT P10636 6/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL9518052 1.00 TOP2A (0.49) TOP2ACYSLTR2CYSLTR1PDE5AELANE
SCHEMBL9518105 0.86 ALOX5 (0.46) CYSLTR2CYSLTR1MAPTKDM4EKMT2A
SCHEMBL9518116 0.86 ALOX5 (0.46) CYSLTR2CYSLTR1MAPTKDM4EKMT2A
SCHEMBL9518108 0.85 ALOX5 (0.46) CYSLTR2CYSLTR1MAPTKDM4EKMT2A
SCHEMBL9516841 0.83 CYSLTR2 (0.67) CYSLTR2CYSLTR1MAPTKDM4EKMT2A
SCHEMBL9515569 0.83 L3MBTL1 (0.48) CYSLTR2CYSLTR1MAPTKDM4EKMT2A
SCHEMBL9516834 0.83 CYSLTR2 (0.67) CYSLTR2CYSLTR1MAPTKDM4EKMT2A
SCHEMBL10720978 0.82 ALOX5 (0.48) MAPTKDM4EKMT2AALDH1A1HTT
SCHEMBL9514406 0.82 ALOX5 (0.48) MAPTKDM4EKMT2AALDH1A1HTT
SCHEMBL9514403 0.81 ALOX5 (0.47) MAPTKDM4EKMT2AALDH1A1HTT

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-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed