SCHEMBL8993244

SCHEMBL8993244

COc1cccc(Cc2ccc(-c3cnn4c(O)c(C(=O)O)cnc34)cc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.47
HCAR2 Q8TDS4 1/20 0.43
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
ALKBH1 Q13686 1/20 0.39
FYN P06241 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL8993019 0.91 BRS3 (0.47) BRS3HCAR2KDM4CKDM5BALKBH1
SCHEMBL8993255 0.90 NPC1 (0.50) HCAR2KMT2AMEN1PDE4APDE4B
SCHEMBL8992780 0.88 BRS3 (0.54) BRS3HCAR2KDM4CKDM5BALKBH1
SCHEMBL8992903 0.83 FYN (0.40) HCAR2KMT2AMEN1ATMFYN
SCHEMBL8992845 0.83 FYN (0.40) HCAR2KMT2AMEN1ATMFYN
SCHEMBL8993105 0.80 BRS3 (0.45) BRS3HCAR2KDM5BFYNRAB9A
SCHEMBL8993226 0.78 NPC1 (0.54) BRS3HCAR2RAB9ANPC1HSD17B10
SCHEMBL9172004 0.76 DHFR (0.41) BRS3HCAR2KMT2AMEN1ALKBH1
SCHEMBL8993229 0.76 BRS3 (0.52) BRS3HCAR2KDM5BFYNRAB9A
SCHEMBL9167797 0.75 SMN1; SMN2 (0.41) HCAR2KMT2AMEN1FYNRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed