SCHEMBL8993290

SCHEMBL8993290

Cc1ccccc1Cc1ccc(-c2cnn3c(O)ncnc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.41
BRS3 P32247 1/20 0.39
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
SMN1; SMN2 Q16637 5/20 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
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
STAT1 P42224 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL8993124 0.87 GPR119 (0.37) GPR119RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8992831 0.86 LTA4H (0.42) GPR119BRS3RAB9ANPC1SMN1; SMN2
SCHEMBL8992955 0.86 NPC1 (0.43) GPR119RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8992965 0.85 GPR119 (0.41) GPR119RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8992894 0.83 MAPT (0.40) GPR119RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8992922 0.81 GPR119 (0.43) GPR119BRS3RAB9ANPC1LTA4H
SCHEMBL9215696 0.81 RAB9A (0.42) GPR119RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8992904 0.80 GPR119 (0.39) GPR119RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8993213 0.80 RAB9A (0.46) GPR119RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8992990 0.80 KMT2A (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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