SCHEMBL8993053

SCHEMBL8993053

CC(c1ccccc1)c1ccc(-c2cnn3c(O)ncnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GPR119 Q8TDV5 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
AHR P35869 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
STAT1 P42224 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8992882 0.85 HCAR2 (0.46) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL8992824 0.85 GPR119 (0.43) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL9172768 0.85 RAB9A (0.55) NPC1RAB9AMEN1KMT2AGPR119
SCHEMBL8992869 0.82 GPR119 (0.48) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL9148492 0.80 NPC1 (0.42) NPC1RAB9AMEN1KMT2AGPR119
SCHEMBL9220305 0.79 RAB9A (0.43) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL8992955 0.79 NPC1 (0.43) NPC1RAB9AMEN1KMT2AGPR119
SCHEMBL9170597 0.79 RAB9A (0.43) NPC1RAB9AMEN1KMT2AGPR119
SCHEMBL9215756 0.79 SRC (0.45) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL8992889 0.78 HCAR2 (0.50) HCAR2NPC1RAB9AMEN1KMT2A

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