SCHEMBL13145803

SCHEMBL13145803

CCOC(=O)c1c(Cl)nc(SC)nc1N(CCCC1OC(C)O1)Cc1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.37
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ NPSR1 Q6W5P4 4/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ LMNA P02545 5/20 0.35
▸ GAA P10253 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34

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
SCHEMBL13146339 0.90 MAPT (0.37) MAPTSMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL537450 0.85 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL537832 0.78 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL13145998 0.74 PPARG (0.45) MAPTSMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL13131434 0.74 PPARG (0.43) MAPTSMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL537640 0.73 PPARG (0.42) MAPTSMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL30926036 0.67 MAPT (0.47) MAPTSMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL31289829 0.67 TARBP2 (0.43) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL16446548 0.67 ALDH1A1 (0.46) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL537829 0.67 MAPT (0.48) MAPTSMN1; SMN2NPSR1MAPK1TSHR

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-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 — — WO disclosed
Send feedback