SCHEMBL2531387

SCHEMBL2531387

CCCCCn1c2ncn(Br)c2c(=O)n2c(CCc3nc(Cc4ccc(C(F)(F)F)cc4)no3)nnc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 5/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
TRPA1 O75762 1/20 0.32
CNOT7 Q9UIV1 4/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2527271 0.92 MEN1 (0.42) ALDH1A1SMN1; SMN2PPARGADORA2AADORA2B
SCHEMBL2523023 0.89 MAPT (0.38) ALDH1A1SMN1; SMN2PPARGADORA2AADORA2B
SCHEMBL2527293 0.87 PPARG (0.38) ALDH1A1SMN1; SMN2PPARGADORA2ACNOT7
SCHEMBL2528388 0.87 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL2527116 0.86 ADORA2A (0.38) ALDH1A1SMN1; SMN2ADORA2AADORA2BTRPA1
SCHEMBL2524833 0.85 PPARG (0.35) ALDH1A1SMN1; SMN2PPARGADORA2ACNOT7
SCHEMBL10182837 0.85 ADORA2B (0.39) ALDH1A1SMN1; SMN2PPARGADORA2AADORA2B
SCHEMBL2524932 0.83 HSP90AA1 (0.38) ALDH1A1SMN1; SMN2PPARGCNOT7
SCHEMBL2527362 0.83 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2PPARGADORA2A
SCHEMBL2528328 0.82 TSHR (0.38) ALDH1A1SMN1; SMN2ADORA2AMEN1KMT2A

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