SCHEMBL8109079

SCHEMBL8109079

COc1cc(C#N)ccc1C(c1c[nH]cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.36
EGLN2 Q96KS0 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
PRKDC P78527 1/20 0.33
GRM5 P41594 1/20 0.32
GUSB P08236 1/20 0.32
ICMT O60725 1/20 0.32
HPGDS O60760 1/20 0.32
ELANE P08246 1/20 0.32
CFB P00751 3/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A2 P11168 1/20 0.31
SLC2A3 P11169 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
MAPK10 P53779 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
CTSA P10619 1/20 0.31

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
SCHEMBL8155536 0.79 IMPDH2 (0.36) AR
SCHEMBL5891827 0.78 CYP19A1 (0.36)
SCHEMBL7669882 0.78 VNN1 (0.35) SLC6A2SLC6A4HPGDS
SCHEMBL8149150 0.71 NR3C1 (0.35)
SCHEMBL7677950 0.68 CYP11B1 (0.36) EGLN2
SCHEMBL8155413 0.67 ALDH1A1 (0.36)
SCHEMBL8157364 0.67 XDH (0.36) GRM5
SCHEMBL8150877 0.67 CYP2D6 (0.35) ARSLC6A2SLC6A4
SCHEMBL8156288 0.66 MAOB (0.39)
SCHEMBL731885 0.65 AGER (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093737-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-07-25 US disclosed
EP-1003374-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-05-31 EP disclosed
EP-1003374-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-05-31 EP disclosed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed