SCHEMBL8993099

SCHEMBL8993099

COc1cc(CC#N)ccc1Cc1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA2 P00918 1/20 0.39
MAOB P27338 1/20 0.38
AR P10275 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ENPP2 Q13822 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
SCHEMBL8993396 0.86 CNR2 (0.48) CNR2CNR1
SCHEMBL8993322 0.86 CNR2 (0.45) CNR2LMNATSHRSMN1; SMN2CA2
SCHEMBL8992798 0.83 ENPP2 (0.41) CNR2CNR1ENPP2
SCHEMBL8993391 0.82 CNR2 (0.44) CNR2CNR1LMNATSHR
SCHEMBL8993275 0.82 CNR1 (0.44) CNR2CNR1LMNATP53HPGD
SCHEMBL8992887 0.80 TUBB4A (0.44) CNR2TSHRCA2ALDH1A1
SCHEMBL625612 0.79 ENPP2 (0.53) LMNAMAOBENPP2
SCHEMBL8992963 0.78 LTA4H (0.46) TP53ENPP2
SCHEMBL8992807 0.76 CNR2 (0.46) CNR2CNR1MAOB
SCHEMBL6228438 0.75 PIK3CD (0.41) TSHRCA2ALDH1A1

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