SCHEMBL8288772

SCHEMBL8288772

CC(C)(C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
MAPK1 P28482 1/20 0.74
FLT3 P36888 2/20 0.70
ALDH1A1 P00352 8/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
RAB9A P51151 2/20 0.67
MAPK10 P53779 2/20 0.67
ANO1 Q5XXA6 1/20 0.64
LMNA P02545 4/20 0.63
TSHR P16473 3/20 0.63
MAPT P10636 2/20 0.63
GFER P55789 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
CNR1 P21554 4/20 0.63
CNR2 P34972 4/20 0.63
CDK2 P24941 1/20 0.62

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
SCHEMBL8288674 0.97 FLT3 (0.74) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL14513178 0.86 ALDH1A1 (0.69) KDM4EMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8289412 0.85 KDM4E (1.00) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL5455157 0.83 CNR2 (0.69) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL8289709 0.83 MAPT (0.69) KDM4EMAPK1ALDH1A1KMT2AMEN1
SCHEMBL5453467 0.82 FLT3 (1.00) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL5804129 0.82 KDM4E (0.75) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL8289832 0.82 ANO1 (0.92) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL5804131 0.82 KDM4E (0.75) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL31562921 0.82 KDM4E (0.75) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2

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