SCHEMBL2525498

SCHEMBL2525498

CCCCCn1c2ncn(Br)c2c(=O)n2c(CCC(=O)N3CCCC3)nnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
MAPT P10636 5/20 0.39
THRB P10828 3/20 0.37
POLB P06746 1/20 0.37
ADORA2A P29274 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PDE4A P27815 1/20 0.37
ADORA2B P29275 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2521394 0.80 RXFP1 (0.40) RXFP1MAPTTHRBPOLBADORA2A
SCHEMBL563298 0.77 RXFP1 (0.42) RXFP1MAPTTHRBPOLBADORA2A
SCHEMBL2527116 0.74 ADORA2A (0.38) ADORA2APDE4AADORA2BPDE4BPDE4C
SCHEMBL563424 0.73 RXFP1 (0.39) RXFP1MAPTTHRBPOLBADORA2A
SCHEMBL2527293 0.69 PPARG (0.38) ADORA2AALDH1A1SMN1; SMN2TSHR
SCHEMBL2523023 0.68 MAPT (0.38) RXFP1MAPTPOLBADORA2AL3MBTL1
SCHEMBL562019 0.67 ADORA2B (0.54) ADORA2APDE4AADORA2BPDE4BPDE4C
SCHEMBL2531387 0.67 ALDH1A1 (0.34) ADORA2AADORA2BALDH1A1SMN1; SMN2KDM4E
SCHEMBL562181 0.66 ADORA2A (0.41) ADORA2AADORA2BALDH1A1SMN1; SMN2KDM4E
SCHEMBL19827228 0.65 KMT2A (0.47) MAPTL3MBTL1ALDH1A1SMN1; SMN2KDM4E

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