SCHEMBL13652181

SCHEMBL13652181

COc1ccc2ncc(O)c(N)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
APP P05067 1/20 0.48
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
CHRM1 P11229 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
HTR1A P08908 1/20 0.44

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
SCHEMBL439635 0.81 APP (0.48) KDM4EAPPBCHEACHECHRM1
SCHEMBL440060 0.81 BCHE (0.50) KDM4EAPPBCHEACHECHRM1
SCHEMBL436681 0.79 LMNA (0.63) KDM4EAPPBCHEACHECHRM1
SCHEMBL2010360 0.78 LMNA (0.44) KDM4ELMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL28160334 0.77 HTR1A (0.45) KDM4EAPPBCHEACHECHRM1
SCHEMBL2014648 0.77 ERN1 (0.56) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL2011169 0.77 LMNA (0.57) KDM4ELMNAALDH1A1MAPTGAA
SCHEMBL2012625 0.76 PLA2G2A (0.50) KDM4ELMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL27888615 0.75 ALDH1A1 (0.58) KDM4ELMNAALDH1A1MAPK1NPSR1
SCHEMBL591852 0.75 LMNA (0.62) KDM4ELMNAMAPTHTR1AADRA1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009125809-A1 PIPERIDINE DERIVATIVES 第一三共株式会社 (JP) 2009-10-15 WO disclosed
WO-2009125808-A1 AMINOCYCLOHEXYL DERIVATIVE 第一三共株式会社 (JP) 2009-10-15 WO disclosed