SCHEMBL8290601

SCHEMBL8290601

Cc1cccc(C)c1OCC(=O)Nc1sc2c(c1C(N)=O)CCC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.72
FLT3 P36888 5/20 0.67
MAPT P10636 3/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPK1 P28482 1/20 0.62
CASP6 P55212 1/20 0.60
MCL1 Q07820 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 2/20 0.59
MAPK10 P53779 2/20 0.59
LMNA P02545 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TP53 P04637 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NTRK1 P04629 1/20 0.56

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
SCHEMBL5451377 0.82 FLT3 (0.80) L3MBTL1FLT3MAPTKDM4EALDH1A1
SCHEMBL8289506 0.81 ALDH1A1 (0.74) L3MBTL1FLT3MAPTKDM4EMAPK1
SCHEMBL5458397 0.79 ALDH1A1 (0.79) L3MBTL1FLT3MAPTKDM4EMAPK1
SCHEMBL13183042 0.79 FLT3 (0.74) L3MBTL1FLT3MAPTKDM4EMAPK1
SCHEMBL8289835 0.78 FLT3 (0.71) L3MBTL1FLT3MAPTKDM4EMAPK1
SCHEMBL8289412 0.77 KDM4E (1.00) L3MBTL1FLT3MAPTKDM4EMAPK1
SCHEMBL3397527 0.77 FLT3 (0.71) L3MBTL1FLT3MAPTKDM4EMAPK1
SCHEMBL3396618 0.77 L3MBTL1 (0.69) L3MBTL1FLT3MAPTKDM4EMAPK1
SCHEMBL8290598 0.75 MAPT (0.80) FLT3MAPTALDH1A1MAPK10LMNA
SCHEMBL3397102 0.75 L3MBTL1 (0.67) L3MBTL1FLT3MAPTMAPK1CASP6

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-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed