SCHEMBL8289828

SCHEMBL8289828

C=CCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.67
HPGD P15428 4/20 0.67
LMNA P02545 2/20 0.67
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
RAB9A P51151 1/20 0.65
MAPK10 P53779 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
GAA P10253 2/20 0.64
TSHR P16473 4/20 0.64
MAPT P10636 2/20 0.64
GFER P55789 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KDM4E B2RXH2 2/20 0.63
MAPK1 P28482 1/20 0.63
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 2/20 0.59
CDK2 P24941 1/20 0.57

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
SCHEMBL8289841 0.99 HPGD (0.69) FLT3HPGDLMNAALDH1A1MEN1
SCHEMBL8290766 0.97 ALDH1A1 (0.68) FLT3HPGDLMNAALDH1A1MEN1
SCHEMBL4135422 0.85 HPGD (0.83) FLT3HPGDLMNAALDH1A1MEN1
SCHEMBL5455950 0.83 HPGD (0.83) FLT3HPGDLMNAALDH1A1MEN1
SCHEMBL5465217 0.83 ALDH1A1 (0.81) FLT3HPGDLMNAALDH1A1MEN1
SCHEMBL3453230 0.83 FLT3 (0.71) FLT3HPGDLMNAALDH1A1MEN1
SCHEMBL5804235 0.83 HPGD (0.71) FLT3HPGDLMNAALDH1A1MEN1
SCHEMBL5453598 0.82 FLT3 (0.62) FLT3HPGDLMNAALDH1A1MEN1
SCHEMBL8290636 0.82 MAPT (0.64) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL5457782 0.81 ALDH1A1 (0.95) FLT3HPGDLMNAALDH1A1MEN1

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