SCHEMBL22425

SCHEMBL22425

COc1cc(O)c(C=O)cc1-c1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.64
KDM4E B2RXH2 8/20 0.64
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
ALDH1A1 P00352 6/20 0.64
GAA P10253 3/20 0.64
HCRTR1 O43613 2/20 0.64
GLA P06280 2/20 0.64
SMN1; SMN2 Q16637 7/20 0.57
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
TP53 P04637 6/20 0.56
HPGD P15428 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HSD17B10 Q99714 2/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
MAPK1 P28482 1/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL22431 0.89 MAPT (0.73) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL23723 0.86 KDM4E (0.58) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL28590372 0.83 KDM4E (0.58) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5960639 0.78 ERN1 (0.63)
SCHEMBL19445043 0.78 MAPT (0.81) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL28735235 0.75 KDM4E (0.60) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL29658196 0.75 KDM4E (0.60) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL28339630 0.74 MAPT (0.50) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL29578593 0.74 MAPT (0.50) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2475992 0.73 KDM4E (0.58) MAPTKDM4EMEN1KMT2AALDH1A1

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