SCHEMBL8212192

SCHEMBL8212192

CSCC[C@H](NC(=O)c1cccc(C=C(Cn2ccnc2)c2nccs2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.44
FNTB P49356 16/20 0.44
AGTR2 P50052 2/20 0.44
PGGT1B P53609 3/20 0.43
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8212186 1.00 FNTA (0.44) FNTAFNTBAGTR2PGGT1BUSP2
SCHEMBL8206718 0.89 AGTR2 (0.44) AGTR2
SCHEMBL8206727 0.89 AGTR2 (0.44) AGTR2
SCHEMBL8205645 0.87 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL7706350 0.87 FNTA (0.46) FNTAFNTBAGTR2
SCHEMBL7706347 0.87 FNTA (0.46) FNTAFNTBAGTR2
SCHEMBL8198535 0.87 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL7247131 0.86 AGTR2 (0.42) FNTAFNTBAGTR2PGGT1B
SCHEMBL7703271 0.85 FNTA (0.46) FNTAFNTBAGTR2PGGT1BUSP2
SCHEMBL7703276 0.85 FNTA (0.46) FNTAFNTBAGTR2PGGT1BUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP claimed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO claimed