SCHEMBL7493616

SCHEMBL7493616

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ MAPT P10636 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ PDK1 Q15118 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ GAA P10253 3/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ PHOSPHO1 Q8TCT1 1/20 0.36

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 0.86 SMN1; SMN2 (0.47) ALOX5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2029235 0.85 ALOX5 (0.44) ALOX5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7496577 0.84 PDK1 (0.40) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2029297 0.83 PDE7A (0.46) ALOX5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2032129 0.78 ALOX5 (0.44) ALOX5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7569633 0.77 MAPT (0.40) ALOX5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7263929 0.73 AGPAT2 (0.58) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2008073 0.72 AKR1B1 (0.45) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1996820 0.71 AKR1B1 (0.48) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2030702 0.70 ILK (0.44) ALOX5MAPTMEN1KMT2ASMN1; SMN2

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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