SCHEMBL13146339

SCHEMBL13146339

COc1ccc(CN(CCCC2OC(C)O2)c2nc(SC)nc(Cl)c2C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ LMNA P02545 6/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 8/20 0.36
▸ L3MBTL1 Q9Y468 6/20 0.35
▸ HTT P42858 4/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KARS1 Q15046 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ AGTR2 P50052 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ LPAR1 Q92633 1/20 0.31

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
SCHEMBL13145803 0.90 MAPT (0.37) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL537832 0.81 MAPT (0.40) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13145998 0.64 PPARG (0.45) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13131434 0.64 PPARG (0.43) MAPTALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL538215 0.62 PPARG (0.41) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13675862 0.62 CALM1 (0.50) ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL20929092 0.61 PPARG (0.59) MAPTALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL28561177 0.61 PPARG (0.59) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL282501 0.60 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MEN1
SCHEMBL31289771 0.60 KDM4E (0.44) MAPTLMNAALDH1A1SMN1; SMN2HTT

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
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