SCHEMBL8992845

SCHEMBL8992845

COc1cccc(Cc2ccc(-c3cnn4c(O)ncnc34)cc2OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.40
DHFR P00374 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
CDK1 P06493 1/20 0.37
SRC P12931 1/20 0.37
ABL2 P42684 1/20 0.37
KIT P10721 1/20 0.37

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
SCHEMBL8993032 0.90 DHFR (0.40) DHFRMAPTALDH1A1LMNACYP1A2
SCHEMBL8993183 0.90 FYN (0.40) FYNMAPTALDH1A1LMNACYP1A2
SCHEMBL8992897 0.90 FYN (0.41) FYNMAPTALDH1A1LMNAMEN1
SCHEMBL8993293 0.89 KMT2A (0.40) FYNMAPTALDH1A1LMNACYP2C9
SCHEMBL8992950 0.87 LTA4H (0.43) FYNDHFRMAPTALDH1A1LMNA
SCHEMBL8992903 0.86 FYN (0.40) FYNDHFRMAPTALDH1A1LMNA
SCHEMBL8993240 0.85 MAPT (0.41) FYNMAPTALDH1A1LMNATGFBR2
SCHEMBL8993192 0.85 FYN (0.41) FYNMAPTALDH1A1LMNACYP1A2
SCHEMBL8992894 0.84 MAPT (0.40) FYNMAPTALDH1A1LMNACYP1A2
SCHEMBL8993244 0.83 BRS3 (0.47) FYNMAPTALDH1A1HCAR2MEN1

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