SCHEMBL8557961

SCHEMBL8557961

CN1OC1(C(=O)Oc1ccc(OCc2nc(-c3ccccn3)cs2)cc1)c1ccc(OCc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
L3MBTL1 Q9Y468 8/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
PPP1CA P62136 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 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
SCHEMBL8559969 0.89 PPARD (0.49) MAPTL3MBTL1KDM4EPPARDPPARA
SCHEMBL8559981 0.84 PARP10 (0.39) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL8835183 0.80 PARP10 (0.50) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL8560309 0.75 KCNH2 (0.39) MAPTALDH1A1KDM4EPPARANPC1
SCHEMBL8557729 0.74 PDE10A (0.43) MAPTPKMKDM4ENPC1RAB9A
SCHEMBL8834199 0.73 GPBAR1 (0.55) ALOX5
SCHEMBL8649482 0.72 MAPT (0.47) MAPTL3MBTL1ALDH1A1PKMPPP1CA
SCHEMBL8559028 0.72 PDE10A (0.45) MAPTNPC1RAB9AMEN1LMNA
SCHEMBL8557214 0.72 ADORA3 (0.47) MAPTL3MBTL1ALDH1A1PKMPPP1CA
SCHEMBL8557960 0.70 GRM5 (0.41) MAPTALDH1A1KDM4ENPC1RAB9A

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