SCHEMBL8559981

SCHEMBL8559981

CN1OC1(C(=O)Oc1ccc(OCc2cccc(-c3ccccn3)n2)cc1)c1ccc(OCc2cccc(-c3ccccn3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MAPK14 Q16539 2/20 0.38
SMO Q99835 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
FFAR1 O14842 4/20 0.37
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL8560309 0.89 KCNH2 (0.39) PDE10ANPC1FFAR1KCNH2KDM4E
SCHEMBL8835183 0.88 PARP10 (0.50) PARP10MAPK14SMOSMN1; SMN2NPC1
SCHEMBL8557961 0.84 MAPT (0.42) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL8834199 0.81 GPBAR1 (0.55) PDE10AFFAR1
SCHEMBL8557729 0.79 PDE10A (0.43) PDE10AKMT2ASMN1; SMN2NPC1FFAR1
SCHEMBL8557960 0.76 GRM5 (0.41) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL8559969 0.75 PPARD (0.49) MEN1SMN1; SMN2NPC1KDM4E
SCHEMBL8559028 0.73 PDE10A (0.45) PDE10AMEN1KMT2ANPC1KCNH2
SCHEMBL8559814 0.71 PARP10 (0.45) PARP10PDE10AMAPK14SMOMEN1
SCHEMBL7595880 0.68 ALDH1A1 (0.46) PARP10MAPK14SMOMEN1KMT2A

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-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed