SCHEMBL5713090

SCHEMBL5713090

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALOX5 P09917 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GLB1 P16278 1/20 0.38

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
SCHEMBL5713084 0.90 MAPT (0.40) PPARASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL7569633 0.88 MAPT (0.40) PPARASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL5713076 0.84 SMN1; SMN2 (0.46) PPARASMN1; SMN2NPSR1KMT2AALDH1A1
SCHEMBL12585014 0.82 SMN1; SMN2 (0.49) PPARASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL2029836 0.79 PPARA (0.47) PPARASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL12584989 0.79 SMN1; SMN2 (0.52) PPARASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL7575462 0.75 SMN1; SMN2 (0.47) PPARASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL2030964 0.74 MAPT (0.46) PPARASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL2031781 0.74 PPARA (0.47) PPARASMN1; SMN2NPSR1KMT2AALDH1A1
SCHEMBL12584984 0.74 PDK1 (0.41) PPARASMN1; SMN2NPSR1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722789-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY Amgen Inc. (US) 2006-11-22 — — EP disclosed
WO-2005086904-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY AMGEN INC. (US) 2005-09-22 — — WO disclosed
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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