SCHEMBL8149043

SCHEMBL8149043

COC(=O)c1ccc(C#N)c(-c2ccccc2)c1.COC(=O)c1ccc(C#N)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
PDK2 Q15119 3/20 0.42
EGFR P00533 1/20 0.40
AR P10275 5/20 0.40
SYK P43405 1/20 0.40
PGR P06401 2/20 0.40
SCN9A Q15858 5/20 0.39
NOTUM Q6P988 1/20 0.39
ACLY P53396 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8142488 0.90 NOTUM (0.46) PDK2ARPGRNOTUMKMT2A
SCHEMBL8326418 0.87 NOTUM (0.43) PDK2ARNOTUMKMT2A
SCHEMBL8155327 0.84 PTGS2 (0.54) PTGS2PDK2EGFRMEN1KMT2A
SCHEMBL36203 0.83 PTGS2 (0.55) PTGS2PDK2EGFRNOTUMACLY
SCHEMBL19125475 0.83 PTGS2 (0.55) PTGS2PDK2EGFRNOTUMACLY
SCHEMBL402630 0.83 NOTUM (0.43) NOTUMKMT2A
SCHEMBL18822403 0.77 PTGS2 (0.50) PTGS2PDK2EGFRNOTUMKMT2A
SCHEMBL21083536 0.76 EGFR (0.64) PTGS2EGFRMEN1KMT2A
SCHEMBL30849990 0.76 EGFR (0.64) PTGS2EGFRMEN1KMT2A
SCHEMBL6741308 0.76 EGFR (0.61) PTGS2PDK2EGFRACLY

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-6077853-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-06-20 US disclosed
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed