SCHEMBL7575462

SCHEMBL7575462

O=[N+]([O-])c1c[c]c(Sc2nc3cc(Cl)ccc3s2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PPARA Q07869 8/20 0.44
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ ALOX5 P09917 3/20 0.42
▸ PDK1 Q15118 1/20 0.41
▸ GLB1 P16278 1/20 0.41
▸ CTRC Q99895 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL7496577 0.89 PDK1 (0.40) SMN1; SMN2NPSR1PPARAMAOAMAOB
SCHEMBL7493616 0.86 ALOX5 (0.41) SMN1; SMN2NPSR1PPARAMAOAMAOB
SCHEMBL7506690 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1PPARAALOX5GLB1
SCHEMBL12585014 0.79 SMN1; SMN2 (0.49) SMN1; SMN2NPSR1PPARAMAOAMAOB
SCHEMBL12584989 0.77 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1PPARAMAOAMAOB
SCHEMBL2029836 0.75 PPARA (0.47) SMN1; SMN2NPSR1PPARAMAOAMAOB
SCHEMBL12585038 0.75 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1PPARAMAOAMAOB
SCHEMBL5713090 0.75 PPARA (0.44) SMN1; SMN2NPSR1PPARAMAOAMAOB
SCHEMBL2033025 0.73 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1PPARAMAOAMAOB
SCHEMBL12584984 0.70 PDK1 (0.41) SMN1; SMN2NPSR1PPARAMAOAMAOB

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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