SCHEMBL9516869

SCHEMBL9516869

CN[C@H](CCC(N)=O)C(=O)OC(=O)C1CCCCC1C(=O)Nc1cccc(C=Cc2nc3ccccc3s2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 7/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 8/20 0.36
MEN1 O00255 3/20 0.34
HTT P42858 3/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 3/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 3/20 0.34
TP53 P04637 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS1 P23219 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9516859 0.89 TDP1 (0.38) TDP1ALOX5EPHX2ALDH1A1KDM4E
SCHEMBL9516876 0.89 TDP1 (0.38) TDP1ALOX5EPHX2ALDH1A1KDM4E
SCHEMBL9518151 0.78 GRK2 (0.50) TDP1ALOX5EPHX2ALDH1A1KDM4E
SCHEMBL9518146 0.78 GRK2 (0.50) TDP1ALOX5EPHX2ALDH1A1KDM4E
SCHEMBL9518140 0.78 GRK2 (0.50) TDP1ALOX5EPHX2ALDH1A1KDM4E
SCHEMBL9516863 0.68 TDP1 (0.47) TDP1ALOX5EPHX2ALDH1A1KDM4E
SCHEMBL9514441 0.67 POLB (0.56) TDP1ALOX5EPHX2ALDH1A1KDM4E
SCHEMBL9516870 0.67 TDP1 (0.49) TDP1ALOX5EPHX2ALDH1A1KDM4E
SCHEMBL9515511 0.66 MAPT (0.53) TDP1ALOX5EPHX2ALDH1A1KDM4E
SCHEMBL9515519 0.66 MAPT (0.53) TDP1ALOX5EPHX2ALDH1A1KDM4E

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 2 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