SCHEMBL9518047

SCHEMBL9518047

O=C(O)CCOc1cccc(/C=C/c2nc3ccccc3s2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.57
CYSLTR1 Q9Y271 2/20 0.57
ATP4A P20648 16/20 0.49
ATP4B P51164 16/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
GLO1 Q04760 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9518053 1.00 CYSLTR2 (0.57) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9516834 0.85 CYSLTR2 (0.67) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9516841 0.85 CYSLTR2 (0.67) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9515581 0.84 ATP4A (0.55) ATP4AATP4B
SCHEMBL9515591 0.84 ATP4A (0.55) ATP4AATP4B
SCHEMBL22472257 0.84 MEN1 (0.53) ATP4AATP4BKDM4EMEN1ALDH1A1
SCHEMBL9515993 0.81 CYSLTR2 (0.53) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9515980 0.81 CYSLTR2 (0.53) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL10720978 0.77 ALOX5 (0.48) KDM4ELMNAGLO1MEN1ALDH1A1
SCHEMBL9514441 0.77 POLB (0.56) KDM4ELMNAMEN1ALDH1A1POLB

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