SCHEMBL22905

SCHEMBL22905

O=C(Nc1cccc(O)c1)Nc1nc2ccc(O)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 1.00
DYRK1B Q9Y463 4/20 1.00
SNCA P37840 2/20 0.74
HSD17B10 Q99714 1/20 0.70
HSD17B1 P14061 3/20 0.67
HSD17B2 P37059 2/20 0.67
DYRK2 Q92630 1/20 0.62
MEN1 O00255 3/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 2/20 0.59
NFKB1 P19838 2/20 0.59
RAB9A P51151 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
GAA P10253 1/20 0.59
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HDAC6 Q9UBN7 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
SCHEMBL11724806 0.91 DYRK1A (1.00) DYRK1ADYRK1BSNCAHSD17B10HSD17B1
SCHEMBL22881 0.84 DYRK1A (0.73) DYRK1ADYRK1BSNCAHSD17B10HSD17B1
SCHEMBL27093077 0.81 DYRK1A (0.67) DYRK1ADYRK1BHSD17B10MEN1MAPT
SCHEMBL11728977 0.80 NPC1 (0.73) DYRK1ADYRK1BSNCAHSD17B10MEN1
SCHEMBL22880 0.80 DYRK1A (0.67) DYRK1ADYRK1BSNCAHSD17B10HSD17B1
SCHEMBL31035 0.80 HSD17B1 (1.00) DYRK1ADYRK1BSNCAHSD17B1HSD17B2
SCHEMBL544349 0.79 DYRK1A (0.75) DYRK1ADYRK1BHSD17B10HSD17B1HSD17B2
SCHEMBL11731028 0.79 RAB9A (0.71) DYRK1ADYRK1BSNCAHSD17B10HSD17B1
SCHEMBL11730371 0.79 RAB9A (0.72) DYRK1ADYRK1BSNCAHSD17B10HSD17B1
SCHEMBL23256883 0.78 DYRK1A (0.66) DYRK1ADYRK1BSNCAHSD17B10MEN1

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