SCHEMBL22431

SCHEMBL22431

COc1cc(OC)c(-c2nc3ccccc3s2)cc1C=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.73
ALDH1A1 P00352 7/20 0.73
KDM4E B2RXH2 7/20 0.73
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
GAA P10253 3/20 0.73
HCRTR1 O43613 2/20 0.73
GLA P06280 2/20 0.73
SMN1; SMN2 Q16637 9/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
TP53 P04637 6/20 0.50
HPGD P15428 3/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL22425 0.89 MAPT (0.64) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL19445043 0.81 MAPT (0.81) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5960621 0.76 TNFRSF1A (0.62) ALDH1A1KDM4ETDP1
SCHEMBL2475992 0.76 KDM4E (0.58) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2088159 0.76 ALDH1A1 (0.76) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL30161844 0.76 ALDH1A1 (0.76) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL15454599 0.76 MAPT (0.72) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11755034 0.76 KDM4E (0.72) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL23723 0.76 KDM4E (0.58) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7057299 0.75 SMN1; SMN2 (0.50) MAPTALDH1A1KDM4EMEN1KMT2A

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