SCHEMBL7690950

SCHEMBL7690950

COc1ccc(C(=O)O)cc1NC(=O)c1ccc(Cl)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
RAB9A P51151 2/20 0.55
LMNA P02545 1/20 0.55
HDAC8 Q9BY41 6/20 0.54
HDAC1 Q13547 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
METAP2 P50579 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPK1 P28482 1/20 0.47
LTB4R Q15722 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL7695539 0.84 PPARG (0.54) PPARGNR1H4RAB9ALMNAHDAC8
SCHEMBL7697263 0.76 L3MBTL1 (0.50) PPARGPPARANR1H4LMNAALDH1A1
SCHEMBL13561126 0.75 HDAC1 (0.79) PPARGPPARANR1H4RAB9ALMNA
SCHEMBL7696259 0.75 NR1H4 (0.56) PPARGPPARANR1H4RAB9AALDH1A1
SCHEMBL7689583 0.74 KMT2A (0.54) RAB9ALMNAALDH1A1MEN1KMT2A
SCHEMBL1277038 0.73 CA12 (0.61) PPARGPPARANR1H4RAB9ALMNA
SCHEMBL2900306 0.72 PYGL (0.83) HDAC8HDAC1HDAC6
SCHEMBL10742633 0.72 CA12 (0.64) PPARGPPARANR1H4RAB9ALMNA
SCHEMBL10319139 0.72 DYRK1A (0.84) PPARGPPARANR1H4RAB9ALMNA
SCHEMBL20053685 0.71 LTB4R (0.64) RAB9ALMNAHDAC8HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002053544-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES DARWIN DISCOVERY LTD. (GB) 2002-07-11 WO disclosed