SCHEMBL7743501

SCHEMBL7743501

COc1cc2c(cc1OC)CN(Cc1cncn1Cc1ccc(C#N)cc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.54
FNTB P49356 7/20 0.54
PGGT1B P53609 4/20 0.54
KMT2A Q03164 1/20 0.53
NRAS P01111 1/20 0.52
HRAS P01112 1/20 0.52
ABCB1 P08183 4/20 0.51
ABCC1 P33527 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50
REV1 Q9UBZ9 1/20 0.49

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
SCHEMBL7743768 0.83 FNTA (0.66) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7744148 0.83 FNTA (0.54) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7744226 0.83 FNTA (0.54) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7738283 0.83 FNTA (0.54) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7738189 0.83 FNTA (0.64) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7743534 0.81 FNTA (0.58) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7746075 0.79 FNTA (0.52) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8487144 0.79 PRKAA2 (0.53) FNTAFNTBPGGT1BKMT2ANRAS
SCHEMBL7744219 0.79 FNTA (0.54) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7855269 0.79 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP claimed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US claimed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed