SCHEMBL9072012

SCHEMBL9072012

COc1ccccc1C(N)CC(=N)OCCc1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KLKB1 P03952 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2667072 0.68 CYP1A2 (0.38) MEN1KMT2AL3MBTL1POLBHTT
SCHEMBL12463681 0.67 POLB (0.55) KMT2AL3MBTL1POLBHTTNPSR1
SCHEMBL31364568 0.67 POLB (0.55) KMT2AL3MBTL1POLBHTTNPSR1
SCHEMBL5720914 0.67 POLB (0.55) KMT2AL3MBTL1POLBHTTNPSR1
SCHEMBL3385975 0.67 POLB (0.55) KMT2AL3MBTL1POLBHTTNPSR1
SCHEMBL2666927 0.65 MEN1 (0.48) MEN1KMT2AL3MBTL1POLBHTT
SCHEMBL6301942 0.65 TDP1 (0.45) TDP1ALDH1A1KLKB1MEN1KMT2A
SCHEMBL12534744 0.65 TDP1 (0.43) TDP1ALDH1A1KMT2ATAAR1L3MBTL1
SCHEMBL5720854 0.64 POLB (0.44) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL2667021 0.64 POLB (0.41) ALDH1A1KMT2AL3MBTL1POLBHTT

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-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO disclosed