SCHEMBL2527271

SCHEMBL2527271

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 2/20 0.34
PPARG P37231 1/20 0.34
MAOA P21397 1/20 0.33
CNOT7 Q9UIV1 1/20 0.33
ADORA2B P29275 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 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
SCHEMBL2531387 0.92 ALDH1A1 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2PPARG
SCHEMBL2524833 0.90 PPARG (0.35) ALDH1A1L3MBTL1POLBSMN1; SMN2PPARG
SCHEMBL2524932 0.88 HSP90AA1 (0.38) ALDH1A1HTTSMN1; SMN2MAOBPPARG
SCHEMBL2527293 0.86 PPARG (0.38) ALDH1A1SMN1; SMN2PPARGCNOT7ADORA2A
SCHEMBL10183558 0.86 MEN1 (0.40) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL2528388 0.86 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2CNOT7ADORA2BADORA2A
SCHEMBL2523023 0.83 MAPT (0.38) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL2527116 0.83 ADORA2A (0.38) ALDH1A1SMN1; SMN2CNOT7ADORA2BADORA2A
SCHEMBL562575 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL2527362 0.82 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2PPARGADORA2A

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