SCHEMBL30920

SCHEMBL30920

COc1cc(C(=O)c2nc3ccccc3s2)c(OC)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
ATM Q13315 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 5/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
GAA P10253 4/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 2/20 0.55
GLA P06280 1/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55

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
SCHEMBL23146 0.88 ALDH1A1 (0.53) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14021104 0.83 RAB9A (0.62) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL29751988 0.80 HSD17B1 (0.48) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL29751975 0.79 HSD17B1 (0.54) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL427929 0.77 TUBB4A (0.72) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL13833772 0.77 HSD17B1 (0.58) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL8405393 0.75 MAOB (0.64) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL6319718 0.74 ALDH1A1 (0.66) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL31405 0.74 HSD17B1 (0.70) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL28480483 0.73 ALDH1A1 (0.56) MAPTMEN1KMT2ASMN1; SMN2TDP1

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