SCHEMBL2822348

SCHEMBL2822348

Oc1ccc(Sc2cc(C#Cc3ccc(Cl)cc3)nc(C#Cc3ccc(Cl)cc3)c2)c2c1CCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.41
GRM5 P41594 4/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL2823409 0.86 PPARD (0.42) PPARD
SCHEMBL2822346 0.86 PPARD (0.41) PPARDGRM5CYP2C9HPGDCYP2C19
SCHEMBL2822197 0.76 GRM5 (0.43) PPARDGRM5MEN1ALDH1A1PLA2G1B
SCHEMBL2823406 0.74 PPARD (0.43) PPARD
SCHEMBL2822191 0.67 GRM5 (0.43) PPARDGRM5ALDH1A1HPGDHTT
SCHEMBL2827433 0.62 PPARG (0.38) PPARDGRM5HSD17B10
SCHEMBL30609566 0.60 ALOX5 (0.54) GRM5MEN1ALDH1A1PLA2G1BHSP90AA1
SCHEMBL18130082 0.60 ALOX5 (0.54) GRM5MEN1ALDH1A1PLA2G1BHSP90AA1
SCHEMBL11196418 0.60 ALDH1A1 (0.61) MEN1ALDH1A1PLA2G1BHSP90AA1CYP3A4
SCHEMBL10802712 0.59 BCL2L1 (0.50) ALDH1A1HPGDHSD17B10

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
EP-1745003-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-27 EP claimed