SCHEMBL7576875

SCHEMBL7576875

Nc1cc(Cl)c(Sc2nc3cc(C(F)(F)F)ccc3s2)c(CC=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ ILK Q13418 2/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ AGPAT2 O15120 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PPARA Q07869 1/20 0.35
▸ AKR1B1 P15121 5/20 0.35
▸ AKR1A1 P14550 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ SCN4A P35499 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL2030702 0.87 ILK (0.44) ALOX5ILKDYRK1AAGPAT2L3MBTL1
SCHEMBL5713076 0.86 SMN1; SMN2 (0.46) ALOX5PPARAMEN1KMT2ASMN1; SMN2
SCHEMBL7569633 0.86 MAPT (0.40) ALOX5DYRK1AAGPAT2L3MBTL1PPARA
SCHEMBL2031349 0.80 DYRK1A (0.46) ALOX5ILKDYRK1AAGPAT2PPARA
SCHEMBL2035992 0.76 ILK (0.42) ALOX5ILKDYRK1AAGPAT2L3MBTL1
SCHEMBL2029235 0.74 ALOX5 (0.44) ALOX5DYRK1AAGPAT2L3MBTL1PPARA
SCHEMBL5713090 0.72 PPARA (0.44) ALOX5PPARAMEN1KMT2ASMN1; SMN2
SCHEMBL5713084 0.71 MAPT (0.40) PPARAMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2000138 0.69 AKR1B1 (0.46) ILKDYRK1AAKR1B1AKR1A1EPHX2
SCHEMBL2036572 0.69 CYP3A4 (0.49) ALOX5DYRK1AAGPAT2PPARAMEN1

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
Send feedback