SCHEMBL8992950

SCHEMBL8992950

COc1cccc(Cc2ccc(-c3cnn4c(O)ncnc34)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
BRS3 P32247 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
SRC P12931 2/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
ABL2 P42684 2/20 0.40
CDK1 P06493 1/20 0.40
FYN P06241 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL8993148 0.90 KMT2A (0.41) HCAR2ABL1KMT2AMEN1LMNA
SCHEMBL8992990 0.89 KMT2A (0.48) HCAR2EGFRKMT2AMEN1ALDH1A1
SCHEMBL8992845 0.87 FYN (0.40) HSP90AA1HSP90AB1HCAR2SRCABL1
SCHEMBL8992922 0.86 GPR119 (0.43) LTA4HBRS3HCAR2SRCABL1
SCHEMBL8992815 0.85 LTA4H (0.43) LTA4HBRS3HCAR2FYNKMT2A
SCHEMBL9214289 0.84 KDR (0.50) SRCABL1EGFRABL2CDK1
SCHEMBL8992955 0.84 NPC1 (0.43) FYNKMT2AMEN1ALDH1A1NPC1
SCHEMBL8993403 0.84 RAB9A (0.44) LTA4HBRS3SRCFYNKMT2A
SCHEMBL9217924 0.81 KMT2A (0.54) HCAR2SRCABL1EGFRABL2
SCHEMBL8992780 0.81 BRS3 (0.54) BRS3HCAR2ALDH1A1NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US claimed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP claimed
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