SCHEMBL8993293

SCHEMBL8993293

COc1ccc(Cc2ccc(-c3cnn4c(O)ncnc34)cc2OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 4/20 0.39
FYN P06241 4/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
LMNA P02545 2/20 0.37
CSF1R P07333 1/20 0.37
NTRK2 Q16620 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
STAT1 P42224 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL8993240 0.92 MAPT (0.41) KMT2ANPC1RAB9AMAPTFYN
SCHEMBL8992897 0.91 FYN (0.41) KMT2ANPC1RAB9AMAPTFYN
SCHEMBL8992845 0.89 FYN (0.40) KMT2AMAPTFYNLMNAKDR
SCHEMBL8992990 0.87 KMT2A (0.48) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL8993192 0.85 FYN (0.41) KMT2ANPC1RAB9AMAPTFYN
SCHEMBL8993183 0.85 FYN (0.40) KMT2ANPC1RAB9AMAPTFYN
SCHEMBL8992894 0.85 MAPT (0.40) KMT2ANPC1RAB9AMAPTFYN
SCHEMBL8992831 0.84 LTA4H (0.42) KMT2ANPC1RAB9AMAPTFYN
SCHEMBL9217924 0.82 KMT2A (0.54) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL8993148 0.82 KMT2A (0.41) KMT2ANPC1RAB9AMAPTLMNA

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