SCHEMBL22880

SCHEMBL22880

O=C(NSc1cccc(O)c1)Nc1nc2ccc(O)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.67
DYRK1B Q9Y463 3/20 0.67
HSD17B1 P14061 6/20 0.61
HSD17B2 P37059 5/20 0.61
SNCA P37840 2/20 0.59
DYRK2 Q92630 1/20 0.58
HSD17B10 Q99714 1/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL22905 0.80 DYRK1A (1.00) DYRK1ADYRK1BHSD17B1HSD17B2SNCA
SCHEMBL23714 0.80 RAB9A (0.64) DYRK1A
SCHEMBL5442274 0.77 NPC1 (0.66) DYRK1A
SCHEMBL11724806 0.76 DYRK1A (1.00) DYRK1ADYRK1BHSD17B1HSD17B2SNCA
SCHEMBL31035 0.76 HSD17B1 (1.00) DYRK1ADYRK1BHSD17B1HSD17B2SNCA
SCHEMBL544349 0.75 DYRK1A (0.75) DYRK1ADYRK1BHSD17B1HSD17B2DYRK2
SCHEMBL10170616 0.74 DYRK1A (1.00) DYRK1ADYRK1BHSD17B1HSD17B2
SCHEMBL27717411 0.74 DYRK1A (0.73) DYRK1ADYRK1BHSD17B1HSD17B2DYRK2
SCHEMBL544933 0.73 DYRK1A (0.65) DYRK1ADYRK1BHSD17B1HSD17B2SNCA
SCHEMBL11730371 0.72 RAB9A (0.72) DYRK1ADYRK1BHSD17B1HSD17B2SNCA

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 4 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