SCHEMBL8288684

SCHEMBL8288684

NC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCCC2

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.90
ALDH1A1 P00352 5/20 0.70
HPGD P15428 3/20 0.70
KDM4E B2RXH2 3/20 0.70
MAPT P10636 3/20 0.70
RAB9A P51151 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
MDM2 Q00987 1/20 0.67
HSD17B10 Q99714 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
TSHR P16473 2/20 0.64
MAPK10 P53779 1/20 0.64
ALOX15 P16050 1/20 0.64
POLB P06746 2/20 0.63
CASP6 P55212 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ANO1 Q5XXA6 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
SCHEMBL3914689 0.99 FLT3 (0.92) FLT3ALDH1A1HPGDKDM4EMAPT
SCHEMBL8290415 0.97 FLT3 (0.90) FLT3ALDH1A1HPGDKDM4EMAPT
SCHEMBL3126680 0.97 FLT3 (0.90) FLT3ALDH1A1HPGDKDM4EMAPT
SCHEMBL3128067 0.96 FLT3 (0.92) FLT3ALDH1A1HPGDKDM4EMAPT
SCHEMBL8288845 0.96 FLT3 (0.97) FLT3ALDH1A1HPGDKDM4EMAPT
SCHEMBL5455726 0.96 FLT3 (0.97) FLT3ALDH1A1HPGDKDM4EMAPT
SCHEMBL8289515 0.96 FLT3 (0.87) FLT3ALDH1A1HPGDKDM4EMAPT
SCHEMBL3922474 0.94 FLT3 (1.00) FLT3ALDH1A1HPGDKDM4EMAPT
SCHEMBL8290403 0.93 FLT3 (0.87) FLT3ALDH1A1HPGDKDM4EMAPT
SCHEMBL5467649 0.92 FLT3 (0.94) FLT3ALDH1A1HPGDKDM4EMAPT

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