SCHEMBL8554065

SCHEMBL8554065

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCC1(C)N=NN=N1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX2 P34913 1/20 0.30
FFAR1 O14842 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8553780 0.80 NPC1 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9075670 0.79 NR1I2 (0.31) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8603712 0.79 NR1I2 (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8557958 0.77 NR1I2 (0.39) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8555548 0.77 LMNA (0.40) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8661865 0.77 NPC1 (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8824437 0.76
SCHEMBL8604570 0.76 HDAC6 (0.38) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8551826 0.76 FFAR4 (0.44) MEN1KMT2AFFAR1USP2ALOX15
SCHEMBL8553057 0.76 KMT2A (0.34) NPC1NFKB1RAB9ANFKB2RELA

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-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed