SCHEMBL7570754

SCHEMBL7570754

CCCCCN1CCN(Cc2nccn2Cc2ccc(C#N)cc2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.47
FNTA P49354 5/20 0.41
FNTB P49356 5/20 0.41
PGGT1B P53609 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90B1 P14625 1/20 0.40
NRAS P01111 1/20 0.39
HRAS P01112 1/20 0.39
APP P05067 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
COMT P21964 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36

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
SCHEMBL3499593 0.75 FNTA (0.57) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3499467 0.75 FNTA (0.51) FNTAFNTBPGGT1BHSP90AA1HSP90B1
SCHEMBL6480409 0.75 PLA2G2A (0.60) PLA2G2AAPPHRH3NPC1RAB9A
SCHEMBL7659750 0.75 FNTA (0.69) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL10686007 0.74 AGTR1 (0.54) HSP90AA1HSP90B1KCNH2AGTR1AGTR2
Hydrochloric Acid SCHEMBL7182161 0.74 FNTA (0.68) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL5891602 0.74 FNTA (0.68) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3499312 0.73 FNTA (0.57) FNTAFNTBPGGT1BNRASHRAS
Oxalic Acid SCHEMBL1507972 0.71 AGTR1 (0.59) HSP90AA1HSP90B1KCNH2AGTR1AGTR2
SCHEMBL3499750 0.71 FNTA (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP disclosed
EP-1019529-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP disclosed
EP-1014984-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-05 EP disclosed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999009985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-03-04 WO disclosed