SCHEMBL9537233

SCHEMBL9537233

[c]1ccc2ccccc2c1-c1cc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
MAOB P27338 4/20 0.44
MAOA P21397 3/20 0.44
METAP2 P50579 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
ADRA2A P08913 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GRM4 Q14833 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL114219 0.75 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10TDP1
SCHEMBL1018789 0.75 ALOX5 (0.46) ALOX5MAOBMAOAMETAP2NPC1
SCHEMBL103158 0.73 MAOB (0.63) ALOX5MAOBMAOAMETAP2NPC1
SCHEMBL30036439 0.73 MAOB (0.63) ALOX5MAOBMAOAMETAP2NPC1
SCHEMBL10624403 0.73 ALDH1A1 (0.37) ALDH1A1CYP1A2HPGDHSD17B10TDP1
SCHEMBL5485480 0.72 ALDH1A1 (0.41) ALOX5NPC1RAB9AMAPTKDM4E
SCHEMBL712885 0.72 MAOB (0.49) ALOX5MAOBMAOAMETAP2NPC1
SCHEMBL5468830 0.72 MAOB (0.62) ALOX5MAOBMAOAMETAP2NPC1
SCHEMBL30956969 0.72 MAOB (0.62) ALOX5MAOBMAOAMETAP2NPC1
SCHEMBL542790 0.71 NPC1 (0.42) ALOX5MAOBMAOAMETAP2NPC1

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
EP-0544696-A1 HYPOGLYCEMIC HYDROXYUREA DERIVATIVES. PFIZER HOSPITAL PROD (US) 1993-06-09 EP disclosed