SCHEMBL9515519

SCHEMBL9515519

O=C(CCCO)Nc1cccc(C=Cc2nc3ccccc3s2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALOX5 P09917 1/20 0.52
EPHX2 P34913 1/20 0.52
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
POLB P06746 3/20 0.43
HTT P42858 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
GAA P10253 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 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
SCHEMBL9515511 1.00 MAPT (0.53) MAPTALOX5EPHX2LMNATDP1
SCHEMBL9514441 0.88 POLB (0.56) MAPTALOX5EPHX2LMNATDP1
SCHEMBL9516863 0.80 TDP1 (0.47) MAPTALOX5EPHX2TDP1KMT2A
SCHEMBL9514448 0.79 ALOX5 (0.53) MAPTALOX5EPHX2TDP1KMT2A
SCHEMBL9518116 0.78 ALOX5 (0.46) MAPTALOX5EPHX2LMNATDP1
SCHEMBL9518105 0.78 ALOX5 (0.46) MAPTALOX5EPHX2LMNATDP1
SCHEMBL9514406 0.78 ALOX5 (0.48) MAPTALOX5EPHX2LMNATDP1
SCHEMBL10720978 0.78 ALOX5 (0.48) MAPTALOX5EPHX2LMNATDP1
SCHEMBL9518108 0.78 ALOX5 (0.46) MAPTALOX5EPHX2LMNATDP1
SCHEMBL9514403 0.77 ALOX5 (0.47) MAPTALOX5EPHX2LMNATDP1

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