SCHEMBL5334907

SCHEMBL5334907

CC(C)NCC(=O)Nc1nc(-c2ccncc2)cn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.43
MAPT P10636 2/20 0.43
NTRK1 P04629 2/20 0.39
ROCK1 Q13464 3/20 0.38
ROCK2 O75116 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PRKACA P17612 1/20 0.38
GPR142 Q7Z601 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL5338305 0.93 MAPT (0.48) MAPTSMN1; SMN2HTTMEN1NPC1
SCHEMBL8227750 0.88 MAPT (0.46) MAPTSMN1; SMN2HTTMEN1NPC1
SCHEMBL8236528 0.83 CXCR3 (0.41) MAPTSMN1; SMN2HTTMEN1NPC1
SCHEMBL5334912 0.83 GSK3B (0.50) GSK3BMAPTSMN1; SMN2HTTMEN1
SCHEMBL8236027 0.83 KDM4E (0.40) MAPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8236015 0.82 MAPT (0.43) GSK3BMAPTSMN1; SMN2NPC1LMNA
SCHEMBL5341032 0.80 TDP1 (0.39) MAPTSMN1; SMN2HTTMEN1NPC1
SCHEMBL8235194 0.80 MAPT (0.49) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL8233443 0.79 ADORA1 (0.42) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL8236014 0.79 MAPT (0.50) MAPTSMN1; SMN2HTTMEN1NPC1

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-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed