SCHEMBL8289690

SCHEMBL8289690

CC(C)(C)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 1.00
ALDH1A1 P00352 4/20 0.71
LMNA P02545 4/20 0.71
KMT2A Q03164 2/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
FLT3 P36888 8/20 0.70
MEN1 O00255 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C19 P33261 1/20 0.70
TSHR P16473 3/20 0.69
HPGD P15428 3/20 0.69
HSD17B10 Q99714 2/20 0.69
ALOX15 P16050 1/20 0.69
KDM4E B2RXH2 2/20 0.66
MAPK1 P28482 1/20 0.61
MAPT P10636 2/20 0.59
GFER P55789 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL3924390 0.99 ANO1 (0.97) ANO1ALDH1A1LMNAKMT2ANPC1
SCHEMBL8289832 0.96 ANO1 (0.92) ANO1ALDH1A1LMNAKMT2ANPC1
SCHEMBL4132192 0.86 ANO1 (0.76) ANO1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8288694 0.85 ANO1 (0.73) ANO1ALDH1A1LMNAKMT2ANPC1
SCHEMBL5453572 0.84 ANO1 (0.73) ANO1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8289718 0.84 FLT3 (0.97) ANO1ALDH1A1LMNAKMT2ANPC1
SCHEMBL8288839 0.84 ANO1 (0.72) ANO1ALDH1A1LMNAKMT2ANPC1
SCHEMBL8288811 0.83 ANO1 (0.71) ANO1ALDH1A1LMNAKMT2ANPC1
SCHEMBL3914847 0.82 FLT3 (1.00) ANO1ALDH1A1LMNAKMT2ANPC1
SCHEMBL8290463 0.82 ANO1 (0.70) ANO1ALDH1A1LMNAKMT2ANPC1

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