SCHEMBL8557214

SCHEMBL8557214

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.47
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
PPP1CA P62136 1/20 0.43
ALOX5 P09917 1/20 0.39
GRM1 Q13255 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4A O75164 2/20 0.39
KDM4B O94953 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
KDM5C P41229 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL8556878 0.89 PPARD (0.50) ADORA3MAPTL3MBTL1ALOX5KDM4E
SCHEMBL8559814 0.84 PARP10 (0.45) ADORA3NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8554714 0.80 PARP10 (0.57) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL8626716 0.79 NPC1 (0.54) MAPTL3MBTL1ALDH1A1PKMALOX5
SCHEMBL8622650 0.78 NPC1 (0.53) MAPTL3MBTL1ALDH1A1PKMALOX5
SCHEMBL8555940 0.75 ADORA3 (0.41) ADORA3MAPTALDH1A1ALOX5KDM4E
SCHEMBL8557149 0.75 KMT2A (0.38) ADORA3MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL8557020 0.73 GPBAR1 (0.46) MAPTALOX5NPC1SMN1; SMN2RAB9A
SCHEMBL8554930 0.72 GPBAR1 (0.62) ALOX5
SCHEMBL8557961 0.72 MAPT (0.42) ADORA3MAPTL3MBTL1ALDH1A1PKM

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