SCHEMBL7496577

SCHEMBL7496577

Cc1ccc2sc(Sc3[c]cc([N+](=O)[O-])cc3Cl)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ HTT P42858 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP13 P45452 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
SCHEMBL7575462 0.89 SMN1; SMN2 (0.47) PDK1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL7493616 0.84 ALOX5 (0.41) PDK1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL12584984 0.81 PDK1 (0.41) PDK1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL2031059 0.77 MEN1 (0.41) PDK1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL12584969 0.77 PDK1 (0.45) PDK1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL5713084 0.76 MAPT (0.40) PDK1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL12585014 0.72 SMN1; SMN2 (0.49) PDK1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL2001086 0.70 RIPK1 (0.39) MAPTSMN1; SMN2KMT2AHTTMEN1
SCHEMBL12584989 0.70 SMN1; SMN2 (0.52) PDK1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL7506690 0.70 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1PPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 — — EP disclosed
WO-2001000579-A1 COMPOUNDS FOR THE MODULATION OF PPARη ACTIVITY TULARIK INC. (US) 2001-01-04 — — WO disclosed
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