SCHEMBL8993229

SCHEMBL8993229

Cc1cccc(Cc2ccc(-c3cnn4c(O)c(C(=O)O)cnc34)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.52
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MAPT P10636 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
KDR P35968 4/20 0.45
HCAR2 Q8TDS4 2/20 0.44
GPR119 Q8TDV5 1/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
STAT1 P42224 1/20 0.44
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KDM5B Q9UGL1 1/20 0.40

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
SCHEMBL8992832 0.89 RAB9A (0.52) BRS3SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL8993105 0.88 BRS3 (0.45) BRS3SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL8992991 0.88 NPC1 (0.57) BRS3SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL8992780 0.87 BRS3 (0.54) BRS3SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL8992993 0.80 NPC1 (0.68) SMN1; SMN2RAB9ANPC1MAPTNFKB1
SCHEMBL8992794 0.80 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1MAPTNFKB1
SCHEMBL8993247 0.80 GPR119 (0.49) BRS3KDRGPR119FYN
SCHEMBL8992922 0.80 GPR119 (0.43) BRS3RAB9ANPC1ALDH1A1KDR
SCHEMBL8993226 0.78 NPC1 (0.54) BRS3SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL8993019 0.78 BRS3 (0.47) BRS3SMN1; SMN2RAB9ANPC1MAPT

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