SCHEMBL8557729

SCHEMBL8557729

CN1OC1(C(=O)Oc1ccc(OCc2cnc3ccccc3n2)cc1)c1ccc(OCc2cnc3ccccc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.43
ALOX5 P09917 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
CYSLTR1 Q9Y271 3/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
ALOX5AP P20292 3/20 0.37
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8834199 0.88 GPBAR1 (0.55) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL8835183 0.83 PARP10 (0.50) ALOX5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL8557960 0.81 GRM5 (0.41) ALOX5NPC1RAB9AMAPTKMT2A
SCHEMBL8559028 0.81 PDE10A (0.45) PDE10AALOX5NPC1RAB9AMAPT
SCHEMBL8560309 0.80 KCNH2 (0.39) PDE10ANPC1RAB9AMAPTGPBAR1
SCHEMBL8559981 0.79 PARP10 (0.39) PDE10ANPC1SMN1; SMN2KMT2AFFAR1
SCHEMBL8555063 0.79 CYSLTR1 (0.42) ALOX5GPBAR1CYSLTR1CYSLTR2ALOX5AP
SCHEMBL8834730 0.79 PDE10A (0.48) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL8552848 0.77 SMPD1 (0.36) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL8559969 0.74 PPARD (0.49) ALOX5NPC1RAB9ASMN1; SMN2MAPT

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