SCHEMBL8764164

SCHEMBL8764164

COC(=O)[C@H]1CC[C@H]2[C@H](CC#N)[C@@H]([C@@]3(C)CCC=CC3=O)CC[C@]12C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.46
SRD5A2 P31213 3/20 0.42
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP19A1 P11511 4/20 0.36
SRD5A1 P18405 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8764167 1.00 CDC25A (0.46) CDC25ASRD5A2PSEN1PSEN2APH1B
SCHEMBL8765059 0.89 CDC25A (0.50) CDC25ASRD5A2ALDH1A1CYP3A4CYP2C19
SCHEMBL8765054 0.89 CDC25A (0.50) CDC25ASRD5A2ALDH1A1CYP3A4CYP2C19
SCHEMBL8764183 0.83 SRD5A2 (0.48) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8764188 0.83 SRD5A2 (0.48) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8765020 0.80 SRD5A2 (0.52) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8765019 0.80 SRD5A2 (0.52) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8765044 0.79 SRD5A2 (0.45) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8765049 0.79 SRD5A2 (0.45) SRD5A2PSEN1PSEN2APH1BNCSTN
SCHEMBL8765547 0.78 SRD5A2 (0.40) SRD5A2PSEN1PSEN2APH1BNCSTN

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
EP-0785943-A1 SYNTHESIS OF 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1997-07-30 EP disclosed
US-5541322-A Synthesis of 6-azaandrostenones GLAXO WELLCOME INC. (US) 1996-07-30 US disclosed
WO-1996011939-A1 SYNTHESIS OF 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1996-04-25 WO disclosed