SCHEMBL5779764

SCHEMBL5779764

CN(C)CCNC(=O)Nc1cccc([Pd])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 4/20 0.50
ATM Q13315 4/20 0.46
EPHX1 P07099 3/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL5565031 0.83 CNR1 (0.55) KMT2AMEN1HTTPOLBMAPT
SCHEMBL15601909 0.82 MAPT (0.53) KMT2AMEN1HTTPOLBMAPT
SCHEMBL2597849 0.82 HTT (0.64) KMT2AMEN1HTTPOLBMAPT
SCHEMBL6719494 0.80 MAPT (0.50) KMT2AMEN1HTTPOLBMAPT
SCHEMBL6719504 0.79 MAPT (0.49) KMT2AMEN1HTTPOLBMAPT
SCHEMBL5565500 0.78 MAPT (0.48) KMT2AMEN1HTTPOLBMAPT
SCHEMBL6719499 0.78 HTT (0.50) KMT2AMEN1HTTPOLBMAPT
SCHEMBL5565486 0.78 MAPT (0.51) KMT2AMEN1HTTPOLBMAPT
SCHEMBL5565491 0.77 MEN1 (0.46) KMT2AMEN1HTTPOLBMAPT
SCHEMBL5566673 0.76 SMN1; SMN2 (0.49) KMT2AMEN1HTTPOLBMAPT

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
EP-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed