SCHEMBL9089985

SCHEMBL9089985

Cc1ccc(-c2nnn(C)n2)c(C)c1OCCCCC=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.31
GAA P10253 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30
NPC1 O15118 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8553057 0.80 KMT2A (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8553434 0.79 MEN1 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8661865 0.76 NPC1 (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9286102 0.67 PDK2 (0.38) GAAMAPK8MAPK10NPC1RAB9A
SCHEMBL9283372 0.66 FFAR1 (0.33)
SCHEMBL17194905 0.63 TYK2 (0.45)
SCHEMBL8555533 0.62 KMT2A (0.32) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL31336779 0.61 TP53 (0.38) GAANPC1NFKB1RAB9ANFKB2
SCHEMBL8604570 0.60 HDAC6 (0.38) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8603712 0.60 NR1I2 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed
WO-1995031452-A1 THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed