SCHEMBL31035

SCHEMBL31035

O=C(Nc1nc2ccc(O)cc2s1)c1cccc(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 1.00
HSD17B2 P37059 6/20 1.00
SNCA P37840 1/20 0.80
DYRK1A Q13627 4/20 0.67
DYRK1B Q9Y463 2/20 0.67
SCD O00767 4/20 0.64
DYRK2 Q92630 1/20 0.64
LRRK2 Q5S007 1/20 0.61
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL29788 0.90 HSD17B1 (0.82) HSD17B1HSD17B2SNCADYRK1ADYRK1B
SCHEMBL12199320 0.90 HSD17B1 (0.81) HSD17B1HSD17B2SNCADYRK1ADYRK1B
SCHEMBL24729364 0.90 HSD17B1 (0.81) HSD17B1HSD17B2SNCADYRK1ASCD
SCHEMBL13329184 0.90 HSD17B1 (0.81) HSD17B1HSD17B2SNCADYRK1ADYRK1B
SCHEMBL29947421 0.90 HSD17B1 (0.81) HSD17B1HSD17B2SNCADYRK1ASCD
SCHEMBL31006 0.89 HSD17B1 (1.00) HSD17B1HSD17B2SNCADYRK1ADYRK1B
SCHEMBL31024 0.87 HSD17B1 (0.82) HSD17B1HSD17B2SNCADYRK1ADYRK1B
SCHEMBL16554129 0.86 HSD17B1 (0.75) HSD17B1HSD17B2SNCADYRK1ADYRK1B
SCHEMBL16554035 0.84 HSD17B1 (0.76) HSD17B1HSD17B2SNCADYRK1ADYRK1B
SCHEMBL19464560 0.83 HSD17B1 (0.74) HSD17B1HSD17B2SNCADYRK1ASCD

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