SCHEMBL29787

SCHEMBL29787

NC(=O)c1ccccc1-c1nc2ccc(O)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
APP P05067 8/20 0.51
SULT1A1 P50225 4/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL1984366 0.90 APP (0.60) MAPTKDM4ENPC1RAB9ANPSR1
SCHEMBL5768391 0.86 MAPT (0.57) MAPTKDM4ENPC1RAB9AAPP
SCHEMBL5027039 0.84 MAPT (0.63) MAPTKDM4ENPC1RAB9ANPSR1
SCHEMBL11808220 0.83 SULT1A1 (0.52) MAPTKDM4ENPC1RAB9ANPSR1
SCHEMBL30810246 0.82 EPHX2 (0.50) MAPTKDM4ENPSR1DYRK1A
SCHEMBL5177282 0.81 ILK (0.57) MAPTNPC1RAB9ANPSR1APP
Hydrochloric Acid SCHEMBL30810214 0.81 EPHX2 (0.49) MAPTKDM4ENPSR1DYRK1A
SCHEMBL27648807 0.80 MAPT (0.67) MAPTKDM4ENPC1RAB9ANPSR1
SCHEMBL5416207 0.80 MAPT (0.69) MAPTKDM4ENPC1RAB9ANPSR1
SCHEMBL27714785 0.78 MAPT (0.56) MAPTKDM4ENPC1RAB9ANPSR1

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 2 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 disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed