SCHEMBL8992815

SCHEMBL8992815

COc1cccc(Cc2ccc(-c3cnn4c(O)ccnc34)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
BRS3 P32247 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
FYN P06241 1/20 0.39
KDR P35968 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPK13 O15264 1/20 0.39
PIM1 P11309 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
DHFR P00374 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 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
SCHEMBL8992903 0.87 FYN (0.40) HCAR2GPR119FYNKDRKMT2A
SCHEMBL8993106 0.87 DHFR (0.40) HCAR2GPR119KDRKMT2AMAPK13
SCHEMBL8993247 0.86 GPR119 (0.49) LTA4HBRS3GPR119FYNKDR
SCHEMBL8992950 0.85 LTA4H (0.43) LTA4HBRS3HCAR2FYNNPC1
SCHEMBL8992934 0.84 GPR119 (0.47) GPR119NPC1RAB9AKMT2AMEN1
SCHEMBL13990623 0.81 NPC1 (0.54) HCAR2KDRNPC1RAB9AKMT2A
SCHEMBL8992780 0.81 BRS3 (0.54) BRS3HCAR2NPC1RAB9AMAPT
SCHEMBL8993226 0.78 NPC1 (0.54) BRS3HCAR2GPR119KDRNPC1
SCHEMBL8993148 0.75 KMT2A (0.41) HCAR2KDRNPC1RAB9AKMT2A
SCHEMBL9172004 0.73 DHFR (0.41) BRS3HCAR2GPR119KDRNPC1

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