SCHEMBL8992824

SCHEMBL8992824

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.43
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
MAPT P10636 1/20 0.40
HCAR2 Q8TDS4 7/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
STAT1 P42224 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SRC P12931 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.34

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
SCHEMBL8993053 0.85 HCAR2 (0.42) GPR119NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL9172768 0.81 RAB9A (0.55) GPR119NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL8992955 0.78 NPC1 (0.43) GPR119NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL9220305 0.76 RAB9A (0.43) GPR119NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL9170597 0.75 RAB9A (0.43) GPR119NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL9221974 0.74 RAB9A (0.43) GPR119NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL9219403 0.73 NPC1 (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8992882 0.73 HCAR2 (0.46) NPC1RAB9ASMN1; SMN2MAPTHCAR2
SCHEMBL9211120 0.72 DGAT1 (0.44) GPR119NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9217924 0.72 KMT2A (0.54) NPC1RAB9ASMN1; SMN2MAPTHCAR2

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