SCHEMBL8290656

SCHEMBL8290656

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
ANO1 Q5XXA6 1/20 0.66
FLT3 P36888 6/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
MAPK1 P28482 1/20 0.64
ALDH1A1 P00352 5/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 3/20 0.62
LMNA P02545 3/20 0.62
TSHR P16473 3/20 0.60
HSD17B10 Q99714 2/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK10 P53779 2/20 0.58
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 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
SCHEMBL8290463 0.97 ANO1 (0.70) KDM4EANO1FLT3KMT2AMEN1
SCHEMBL8288839 0.96 ANO1 (0.72) KDM4EANO1FLT3KMT2AMEN1
SCHEMBL8289832 0.83 ANO1 (0.92) KDM4EANO1FLT3KMT2AMEN1
SCHEMBL8289710 0.82 KDM4E (0.70) KDM4EANO1FLT3KMT2AMEN1
SCHEMBL8288837 0.82 PTPRC (0.52) KDM4EANO1FLT3KMT2AMEN1
SCHEMBL8289415 0.81 KDM4E (1.00) KDM4EANO1FLT3KMT2AMEN1
SCHEMBL8289719 0.81 MAPT (0.69) KDM4EANO1KMT2AMEN1ALDH1A1
SCHEMBL3924390 0.81 ANO1 (0.97) KDM4EANO1FLT3KMT2AMEN1
SCHEMBL8288840 0.80 ANO1 (0.75) KDM4EANO1KMT2AMEN1ALDH1A1
SCHEMBL8288772 0.80 KDM4E (0.74) KDM4EANO1FLT3KMT2AMEN1

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