SCHEMBL8288828

SCHEMBL8288828

CSCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.70
ALDH1A1 P00352 5/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
RAB9A P51151 1/20 0.68
MAPK10 P53779 1/20 0.68
HPGD P15428 4/20 0.67
LMNA P02545 3/20 0.67
KDM4E B2RXH2 2/20 0.67
MAPK1 P28482 1/20 0.67
TSHR P16473 4/20 0.64
MAPT P10636 3/20 0.64
GFER P55789 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
GAA P10253 1/20 0.61
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60

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
SCHEMBL8288666 0.99 FLT3 (0.69) FLT3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8289868 0.97 ALDH1A1 (0.72) FLT3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5465217 0.86 ALDH1A1 (0.81) FLT3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4135422 0.85 HPGD (0.83) FLT3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5454380 0.84 FLT3 (0.72) FLT3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5457782 0.84 ALDH1A1 (0.95) FLT3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3453230 0.83 FLT3 (0.71) FLT3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5455950 0.83 HPGD (0.83) FLT3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5453467 0.83 FLT3 (1.00) FLT3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3125764 0.82 ALDH1A1 (0.88) FLT3ALDH1A1MEN1KMT2ASMN1; 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