SCHEMBL6130486

SCHEMBL6130486

CC(N)(CC#CCNCC=N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.33
BLM P54132 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
ADRA1A P35348 1/20 0.31
PTGS2 P35354 1/20 0.31
MTOR P42345 1/20 0.31
RECQL P46063 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
SCHEMBL7071598 0.88 GGT1 (0.30) GGT1
SCHEMBL7072463 0.88 GGT1 (0.30) GGT1
SCHEMBL6992677 0.84 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6130501 0.73 BLM (0.34) GGT1BLMKDM4EMEN1USP2
SCHEMBL4200797 0.73 ARG1 (0.45) GGT1BLMKDM4EMEN1USP2
SCHEMBL6986975 0.73 BLM (0.34) GGT1BLMKDM4EMEN1USP2
SCHEMBL6478143 0.73 BLM (0.34) GGT1BLMKDM4EMEN1USP2
SCHEMBL6985887 0.73 BLM (0.34) GGT1BLMKDM4EMEN1USP2
SCHEMBL5839573 0.72 GGT1 (0.39) GGT1BLMARG1ARG2
SCHEMBL8192140 0.72 ARG1 (0.47) GGT1BLMKDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005025620-A2 COMBINATION THERAPY WITH INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE AND ALKYLATING AGENTS PHARMACIA CORPORATION (US) 2005-03-24 WO claimed
EP-1317416-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP claimed
WO-2002022559-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO claimed
EP-1429777-A4 OPHTHALMOLOGIC TREATMENT METHODS USING SELECTIVE INOS INHIBITORS PHARMACIA CORP (US) 2005-06-22 EP disclosed
WO-2005025620-A2 COMBINATION THERAPY WITH INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE AND ALKYLATING AGENTS PHARMACIA CORPORATION (US) 2005-03-24 WO disclosed
EP-1429777-A1 OPHTHALMOLOGIC TREATMENT METHODS USING SELECTIVE INOS INHIBITORS Pharmacia Corporation (US) 2004-06-23 EP disclosed
EP-1429752-A1 NEUROPROTECTIVE TREATMENT METHODS USING SELECTIVE INOS INHIBITORS Pharmacia Corporation (US) 2004-06-23 EP disclosed
EP-1317416-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP disclosed
WO-2003026638-A1 NEUROPROTECTIVE TREATMENT METHODS USING SELECTIVE INOS INHIBITORS PHARMACIA CORPORATION (US) 2003-04-03 WO disclosed
WO-2003026668-A1 OPHTHALMOLOGIC TREATMENT METHODS USING SELECTIVE INOS INHIBITORS PHARMACIA CORPORATION (US) 2003-04-03 WO disclosed
WO-2002022559-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO disclosed