SCHEMBL8289729

SCHEMBL8289729

CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc(C)c1C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.67
▸ TP53 P04637 2/20 0.67
▸ KDM4E B2RXH2 2/20 0.61
▸ MAPK1 P28482 3/20 0.60
▸ LMNA P02545 1/20 0.60
▸ ALDH1A1 P00352 7/20 0.58
▸ HPGD P15428 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ TNKS2 Q9H2K2 1/20 0.55
▸ CASP1 P29466 1/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ POLB P06746 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL13438093 0.92 MAPT (0.64) MAPTTP53KDM4EMAPK1ALDH1A1
SCHEMBL8288727 0.92 MAPT (0.64) MAPTTP53KDM4EMAPK1ALDH1A1
SCHEMBL34468504 0.84 ALDH1A1 (0.66) MAPTTP53KDM4EMAPK1ALDH1A1
SCHEMBL34468585 0.82 TNKS2 (0.67) MAPTTP53KDM4EMAPK1LMNA
SCHEMBL34468610 0.81 TP53 (0.67) MAPTTP53KDM4EMAPK1LMNA
SCHEMBL8290780 0.80 TP53 (0.60) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL8288732 0.79 POLB (0.78) MAPTTP53KDM4EMAPK1LMNA
SCHEMBL8289567 0.75 TP53 (0.72) MAPTTP53MAPK1LMNAALDH1A1
SCHEMBL11493125 0.75 ALDH1A1 (0.76) MAPTTP53KDM4EMAPK1ALDH1A1
SCHEMBL34468614 0.74 ALDH1A1 (0.79) MAPTTP53KDM4EMAPK1LMNA

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
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