SCHEMBL7129338

SCHEMBL7129338

NC(=O)c1cccnc1NCCc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 1/20 0.63
MAPT P10636 7/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
GLA P06280 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
JAK3 P52333 1/20 0.54
L3MBTL1 Q9Y468 5/20 0.50
GAA P10253 2/20 0.50
RPS6KB1 P23443 3/20 0.47
AKT1 P31749 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
APAF1 O14727 1/20 0.46

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
SCHEMBL3716881 0.88 MAPT (0.70) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL31204910 0.86 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL3714863 0.86 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL22261288 0.82 JAK3 (0.60) KDM4EJAK3L3MBTL1RPS6KB1AKT1
SCHEMBL448276 0.79 MEN1 (0.64) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL17490812 0.79 ALDH1A1 (0.75) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1233669 0.79 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL22731793 0.77 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL447482 0.77 MEN1 (0.65) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL20722727 0.76 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MAPT

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-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed