SCHEMBL8289669

SCHEMBL8289669

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.76
LMNA P02545 3/20 0.76
ALDH1A1 P00352 6/20 0.74
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
RAB9A P51151 1/20 0.74
MAPK10 P53779 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
FLT3 P36888 5/20 0.69
MAPT P10636 4/20 0.67
TP53 P04637 1/20 0.67
KDM4E B2RXH2 3/20 0.65
TSHR P16473 3/20 0.65
ALOX15 P16050 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MAPK1 P28482 1/20 0.65
GFER P55789 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 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
SCHEMBL8288679 0.99 HPGD (0.78) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL8289510 0.98 ALDH1A1 (0.78) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL5454380 0.93 FLT3 (0.72) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL4135422 0.90 HPGD (0.83) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL5457782 0.88 ALDH1A1 (0.95) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL3125764 0.86 ALDH1A1 (0.88) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL8288697 0.85 ALDH1A1 (0.86) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL5465217 0.85 ALDH1A1 (0.81) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL8288672 0.84 ALDH1A1 (0.93) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL5458397 0.84 ALDH1A1 (0.79) HPGDLMNAALDH1A1MEN1KMT2A

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