SCHEMBL9514441

SCHEMBL9514441

O=C(O)CCC(=O)Nc1cccc(/C=C/c2nc3ccccc3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
ALOX5 P09917 1/20 0.53
EPHX2 P34913 1/20 0.53
KDM4E B2RXH2 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
RECQL P46063 2/20 0.52
GAA P10253 2/20 0.52
HTT P42858 2/20 0.52
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
MCL1 Q07820 1/20 0.49
LDHA P00338 3/20 0.49

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
SCHEMBL9515519 0.88 MAPT (0.53) POLBALOX5EPHX2KDM4EMEN1
SCHEMBL9515511 0.88 MAPT (0.53) POLBALOX5EPHX2KDM4EMEN1
SCHEMBL9514406 0.85 ALOX5 (0.48) POLBALOX5EPHX2KDM4EMEN1
SCHEMBL10720978 0.85 ALOX5 (0.48) POLBALOX5EPHX2KDM4EMEN1
SCHEMBL9518116 0.83 ALOX5 (0.46) POLBALOX5EPHX2KDM4EMEN1
SCHEMBL9518105 0.83 ALOX5 (0.46) POLBALOX5EPHX2KDM4EMEN1
SCHEMBL9516863 0.82 TDP1 (0.47) POLBALOX5EPHX2KDM4EMEN1
SCHEMBL9514448 0.82 ALOX5 (0.53) POLBALOX5EPHX2KDM4EMEN1
SCHEMBL9620100 0.78 CYSLTR2 (0.61) POLBKDM4EMEN1KMT2ALMNA
SCHEMBL9620104 0.78 CYSLTR2 (0.61) POLBKDM4EMEN1KMT2ALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62142168-A None JP disclosed
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
JP-S62142168-A THIAZOLE DERIVATIVE AND LEUKOTRIENE ANTAGONISTIC AGENT CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT MITSUBISHI CHEM IND LTD 1987-06-25 JP 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