SCHEMBL8993322

SCHEMBL8993322

COc1cc(CC#N)ccc1Cc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.45
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.37
AR P10275 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR55 Q9Y2T6 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 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
SCHEMBL8992887 0.88 TUBB4A (0.44) CNR2GAAMAPTTSHRMAPK1
SCHEMBL8993099 0.86 CNR2 (0.44) CNR2TSHRCA2LMNASMN1; SMN2
SCHEMBL8993391 0.84 CNR2 (0.44) CNR2GAAMAPTTSHRMAPK1
SCHEMBL8993396 0.80 CNR2 (0.48) CNR2GPR55
SCHEMBL8992924 0.80 CNR2 (0.45) CNR2GAAMAPTTSHRMAPK1
SCHEMBL8993206 0.80 TTR (0.46) CNR2GAAMAPTTSHRMAPK1
SCHEMBL6223383 0.80 PDCD1 (0.48) TSHRCA2ARALDH1A1PIK3CD
SCHEMBL6228438 0.80 PIK3CD (0.41) GAAMAPTTSHRMAPK1HTT
SCHEMBL1008180 0.77 HTR7 (0.43) GAAMAPTTSHRMAPK1HTT
SCHEMBL12257908 0.77 ACHE (0.50) GAAMAPTTSHRMAPK1HTT

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