SCHEMBL5713084

SCHEMBL5713084

Cc1ccc2sc(Sc3c(Cl)cc([N+](=O)[O-])cc3CC=O)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ PPARA Q07869 3/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ PDK1 Q15118 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33

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
SCHEMBL5713090 0.90 PPARA (0.44) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL7569633 0.86 MAPT (0.40) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12584984 0.85 PDK1 (0.41) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2031059 0.80 MEN1 (0.41) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12584969 0.79 PDK1 (0.45) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12585014 0.77 SMN1; SMN2 (0.49) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL7496577 0.76 PDK1 (0.40) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5713076 0.74 SMN1; SMN2 (0.46) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12584989 0.73 SMN1; SMN2 (0.52) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2031781 0.72 PPARA (0.47) MAPTKMT2AALDH1A1SMN1; SMN2MEN1

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
Send feedback