SCHEMBL8155327

SCHEMBL8155327

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
EGFR P00533 1/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
KIF11 P52732 1/20 0.44
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GALR3 O60755 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
NEK1 Q96PY6 1/20 0.43
SGK1 O00141 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL30849990 0.90 EGFR (0.64) PTGS2EGFRMEN1KMT2ATSHR
SCHEMBL21083536 0.90 EGFR (0.64) PTGS2EGFRMEN1KMT2ATSHR
SCHEMBL404224 0.88 EGFR (0.57) PTGS2EGFRMEN1KMT2ATSHR
SCHEMBL7569920 0.87 TDP1 (0.53) PTGS2EGFRMEN1KMT2ATSHR
SCHEMBL29663125 0.86 CA1 (0.54) MEN1KMT2AKDM4EMAPK14RAB9A
SCHEMBL30877906 0.86 CA1 (0.54) MEN1KMT2AKDM4EMAPK14RAB9A
SCHEMBL2127568 0.85 CYP11B1 (0.60) ALDH1A1KDM4ENEK1MAPT
SCHEMBL7571121 0.85 KDM4E (0.50) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8149043 0.84 PTGS2 (0.47) PTGS2EGFRMEN1KMT2APDK2
SCHEMBL6165708 0.82 ESR2 (0.56) EGFRTSHRALDH1A1HPGDKDM4E

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-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
US-5939439-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-08-17 US disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed