SCHEMBL2524932

SCHEMBL2524932

CCCCCn1c2ncn(Br)c2c(=O)n2c(CCc3nc(Cc4cccc(OC)c4)no3)nnc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
RXFP1 Q9HBX9 2/20 0.36
PPARG P37231 2/20 0.36
TP53 P04637 1/20 0.36
PPARA Q07869 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
HIF1A Q16665 1/20 0.35
ADORA3 P0DMS8 3/20 0.35
CNOT7 Q9UIV1 4/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL2523023 0.91 MAPT (0.38) RXFP1PPARGSMN1; SMN2MAPTHTT
SCHEMBL2524833 0.91 PPARG (0.35) PPARGTP53SMN1; SMN2LMNAMAPT
SCHEMBL2527271 0.88 MEN1 (0.42) PPARGSMN1; SMN2HTTADORA3CNOT7
SCHEMBL2527411 0.86 ADORA2B (0.40) HSP90AA1HSP90AB1PPARGPPARASMN1; SMN2
SCHEMBL2528328 0.86 TSHR (0.38) TP53SMN1; SMN2LMNAMAPTCNOT7
SCHEMBL2527293 0.85 PPARG (0.38) PPARGSMN1; SMN2CNOT7PKMALDH1A1
SCHEMBL2527116 0.84 ADORA2A (0.38) SMN1; SMN2CNOT7ALDH1A1
SCHEMBL2531387 0.83 ALDH1A1 (0.34) PPARGSMN1; SMN2CNOT7ALDH1A1
SCHEMBL562075 0.82 ADORA2A (0.36) HSP90AA1HSP90AB1RXFP1PPARGPPARA
SCHEMBL2527362 0.81 ALDH1A1 (0.32) PPARGSMN1; SMN2PKMALDH1A1MAPK1

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
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US disclosed