SCHEMBL8992780

SCHEMBL8992780

COc1cccc(Cc2ccc(-c3cnn4c(O)c(C(=O)O)cnc34)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.54
HCAR2 Q8TDS4 7/20 0.47
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
ALKBH1 Q13686 1/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 1/20 0.42
STAT1 P42224 1/20 0.42
LPAR1 Q92633 1/20 0.41

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
SCHEMBL8993226 0.89 NPC1 (0.54) BRS3HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL8993019 0.88 BRS3 (0.47) BRS3HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL8993244 0.88 BRS3 (0.47) BRS3HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL8993229 0.87 BRS3 (0.52) BRS3HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL8992832 0.87 RAB9A (0.52) BRS3HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL8992815 0.81 LTA4H (0.43) BRS3HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL8992950 0.81 LTA4H (0.43) BRS3HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL8993255 0.78 NPC1 (0.50) HCAR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8992991 0.78 NPC1 (0.57) BRS3HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL8992993 0.78 NPC1 (0.68) RAB9ANPC1SMN1; SMN2MAPTNFKB1

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