SCHEMBL3801938

SCHEMBL3801938

[c]1cccc(-c2csc(-c3c[c]ccc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 2/20 0.51
AR P10275 1/20 0.51
CYP19A1 P11511 7/20 0.50
AXL P30530 1/20 0.50
PBRM1 Q86U86 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
SREBF2 Q12772 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL9957782 0.93 KDM4E (0.62) KDM4EKMT2AARCYP19A1AXL
SCHEMBL6217477 0.84 ALDH1A1 (0.62) KDM4EKMT2AARMKNK1MKNK2
SCHEMBL61174 0.82 RECQL (0.53) KDM4ESREBF2RAB9AALDH1A1NPC1
SCHEMBL3141486 0.80 CYP3A4 (0.56) KDM4EKMT2AARCYP19A1SREBF2
SCHEMBL28806539 0.80 CYP19A1 (0.36) KDM4EKMT2AARCYP19A1AXL
SCHEMBL694619 0.76 KDM4E (0.69) KDM4EKMT2AARCYP19A1SREBF2
SCHEMBL714474 0.76 KDM4E (0.69) KDM4EKMT2AARCYP19A1SREBF2
SCHEMBL17626149 0.76 RAB9A (0.45) KDM4ESREBF2RAB9AALDH1A1NPC1
SCHEMBL2781370 0.74 KDM4E (0.85) KDM4EKMT2AARCYP19A1SREBF2
SCHEMBL11213828 0.72 SREBF2 (0.82) KDM4EKMT2AARCYP19A1SREBF2

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-2190421-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2010-06-02 EP disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 WO disclosed