SCHEMBL7569633

SCHEMBL7569633

O=CCc1cc([N+](=O)[O-])cc(Cl)c1Sc1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ GAA P10253 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ TLR2 O60603 1/20 0.35
▸ TLR1 Q15399 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2029235 0.88 ALOX5 (0.44) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5713090 0.88 PPARA (0.44) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5713084 0.86 MAPT (0.40) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7576875 0.86 ALOX5 (0.41) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2032129 0.81 ALOX5 (0.44) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2029297 0.79 PDE7A (0.46) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7493616 0.77 ALOX5 (0.41) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2030702 0.72 ILK (0.44) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5713076 0.72 SMN1; SMN2 (0.46) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2008073 0.72 AKR1B1 (0.45) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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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