SCHEMBL8485666

SCHEMBL8485666

Cc1cnccc1C(N)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
SIRT3 Q9NTG7 1/20 0.50
CYP2A6 P11509 2/20 0.47
BAZ2B Q9UIF8 2/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
THRB P10828 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL3816767 0.83 TDP1 (0.66) TDP1SIRT3CYP2A6BAZ2BALDH1A1
SCHEMBL1024936 0.81 TDP1 (0.42) TDP1SIRT3CYP2A6ALDH1A1MAPT
SCHEMBL36668757 0.79 TDP1 (0.71) TDP1SIRT3ALDH1A1MAPTKDM4E
SCHEMBL286483 0.79 TDP1 (0.71) TDP1SIRT3ALDH1A1MAPTKDM4E
SCHEMBL8226949 0.79 TDP1 (0.50) TDP1SIRT3CYP2A6ALDH1A1MAPT
SCHEMBL11001665 0.79 TDP1 (0.50) TDP1SIRT3CYP2A6ALDH1A1MAPT
SCHEMBL2470189 0.76 TDP1 (0.47) TDP1SIRT3CYP2A6ALDH1A1MAPT
SCHEMBL1877896 0.76 TDP1 (0.47) TDP1SIRT3CYP2A6ALDH1A1MAPT
SCHEMBL11341427 0.75 CYP2A6 (0.47) TDP1SIRT3CYP2A6BAZ2BALDH1A1
SCHEMBL30990565 0.75 CYP2A6 (0.44) TDP1SIRT3CYP2A6BAZ2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed