SCHEMBL9516870

SCHEMBL9516870

CC(C)CCOC(=O)C=CC(=O)Nc1cccc(C=Cc2nc3ccccc3s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 7/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 7/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 6/20 0.45
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
HPGD P15428 4/20 0.43
MEN1 O00255 3/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
FSCN1 Q16658 1/20 0.40
HDAC4 P56524 1/20 0.38
MEF2D Q14814 1/20 0.38
ALB P02768 1/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL9516863 0.84 TDP1 (0.47) TDP1MAPTKDM4EALDH1A1HTT
SCHEMBL9514448 0.81 ALOX5 (0.53) TDP1MAPTKDM4EALDH1A1HTT
SCHEMBL9514441 0.73 POLB (0.56) TDP1MAPTKDM4EALDH1A1HTT
SCHEMBL9515519 0.72 MAPT (0.53) TDP1MAPTKDM4EALDH1A1HTT
SCHEMBL9515511 0.72 MAPT (0.53) TDP1MAPTKDM4EALDH1A1HTT
SCHEMBL9518052 0.70 TOP2A (0.49) TDP1MAPTKDM4EALDH1A1HTT
SCHEMBL9514857 0.70 TOP2A (0.49) TDP1MAPTKDM4EALDH1A1HTT
SCHEMBL10720978 0.69 ALOX5 (0.48) TDP1MAPTKDM4EALDH1A1HTT
SCHEMBL9514406 0.69 ALOX5 (0.48) TDP1MAPTKDM4EALDH1A1HTT
SCHEMBL9514403 0.68 ALOX5 (0.47) TDP1MAPTKDM4EALDH1A1HTT

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