SCHEMBL8559969

SCHEMBL8559969

CN1OC1(C(=O)Oc1ccc(OCc2nc(-c3ccccc3)cs2)cc1)c1ccc(OCc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.49
PPARA Q07869 2/20 0.49
ALOX5 P09917 3/20 0.47
MAPT P10636 6/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.39
F2RL3 Q96RI0 1/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8557961 0.89 MAPT (0.42) PPARDPPARAALOX5MAPTL3MBTL1
SCHEMBL8560309 0.84 KCNH2 (0.39) PPARAMAPTKDM4ERAB9APOLB
SCHEMBL8557960 0.77 GRM5 (0.41) ALOX5MAPTTDP1KDM4ERAB9A
SCHEMBL8559981 0.75 PARP10 (0.39) KDM4ENPC1MEN1SMN1; SMN2
SCHEMBL8835183 0.75 PARP10 (0.50) ALOX5KDM4ERAB9AMAPK1NPC1
SCHEMBL8557729 0.74 PDE10A (0.43) ALOX5MAPTKDM4ERAB9ANPC1
SCHEMBL8834199 0.73 GPBAR1 (0.55) ALOX5
SCHEMBL8559028 0.73 PDE10A (0.45) ALOX5MAPTRAB9APOLBNPC1
SCHEMBL8556878 0.71 PPARD (0.50) PPARDPPARAALOX5MAPTL3MBTL1
SCHEMBL8556884 0.69 ALOX5 (0.56) PPARDPPARAALOX5MAPTL3MBTL1

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