SCHEMBL31055

SCHEMBL31055

COc1ccc(C(=O)Nc2nc3ccc(O)cc3s2)cc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.84
MEN1 O00255 4/20 0.84
NPC1 O15118 4/20 0.84
RAB9A P51151 4/20 0.84
KMT2A Q03164 4/20 0.84
KDM4E B2RXH2 2/20 0.72
ALDH1A1 P00352 2/20 0.72
NPSR1 Q6W5P4 1/20 0.72
RXFP1 Q9HBX9 1/20 0.72
HSD17B1 P14061 3/20 0.69
HSD17B2 P37059 2/20 0.66
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL31243 0.91 SCD (1.00) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL16554101 0.89 HTT (0.71) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL31024 0.88 HSD17B1 (0.82) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL2483241 0.88 SCD (0.84) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL2753553 0.88 SCD (0.93) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL4917956 0.87 SCD (0.82) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL22130146 0.87 SCD (0.87) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL31219331 0.87 SCD (0.87) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL13329360 0.86 HSD17B1 (0.74) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL16562121 0.86 SCD (0.89) SCDMEN1NPC1RAB9AKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP claimed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO claimed
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed