SCHEMBL16149013

SCHEMBL16149013

COc1cc(C(=O)Nc2ccccc2-n2cnc3ccccc32)cc(OC)c1OC.O=C(Nc1ccccc1-n1cnc2ccccc21)c1ccc(C(=O)O)c(-c2ncc[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 2/20 0.41
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.41
MAPK8 P45983 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PRNP P04156 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL17498740 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL17498776 0.83 ALDH1A1 (0.56) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL17498808 0.83 MEN1 (0.59) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL17498728 0.78 ALDH1A1 (0.56) MEN1KMT2AALDH1A1GAAHSD17B10
SCHEMBL17498804 0.78 ALDH1A1 (0.60) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL27714559 0.78 L3MBTL1 (0.59) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL17498741 0.77 AURKA (0.42) ALDH1A1HSD17B10SMN1; SMN2HPGDLMNA
SCHEMBL17498831 0.76 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2HPGDNPSR1
SCHEMBL16147500 0.76 MEN1 (0.39) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL16147231 0.76 LCK (0.38) ALDH1A1L3MBTL1HSD17B10HPGDMAPT

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-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 EP disclosed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 WO disclosed