SCHEMBL8992831

SCHEMBL8992831

COc1ccccc1Cc1ccc(-c2cnn3c(O)ncnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
BRS3 P32247 1/20 0.41
EED O75530 1/20 0.39
FYN P06241 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CHEK2 O96017 1/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
GAK O14976 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
CSF1R P07333 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8992897 0.87 FYN (0.41) FYNKMT2ANPC1RAB9AHPGD
SCHEMBL8993290 0.86 GPR119 (0.41) LTA4HBRS3KDM4EKMT2ANPC1
SCHEMBL8993293 0.84 KMT2A (0.40) FYNKMT2ANPC1RAB9AHPGD
SCHEMBL8993240 0.84 MAPT (0.41) FYNKDM4EKMT2ANPC1RAB9A
SCHEMBL8992894 0.83 MAPT (0.40) FYNKDM4EKMT2ANPC1RAB9A
SCHEMBL8992955 0.82 NPC1 (0.43) FYNKDM4EKMT2ANPC1RAB9A
SCHEMBL8993148 0.80 KMT2A (0.41) KMT2ANPC1RAB9AHPGDLMNA
SCHEMBL8992845 0.80 FYN (0.40) FYNKMT2ALMNAMEN1MAPT
SCHEMBL8993183 0.80 FYN (0.40) FYNKDM4EKMT2ANPC1RAB9A
SCHEMBL8992950 0.80 LTA4H (0.43) LTA4HBRS3FYNKMT2ANPC1

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