SCHEMBL8205624

SCHEMBL8205624

CSCC[C@H](NC(=O)c1ccc(C=C(Cc2ncc[nH]2)c2ccc(F)cc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 1/20 0.40
FNTA P49354 8/20 0.40
FNTB P49356 8/20 0.40
PGGT1B P53609 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FOLH1 Q04609 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8206389 0.91 FNTA (0.46) CA2CA1ALDH1A1USP2TP53
SCHEMBL8198280 0.91 FNTA (0.46) CA2CA1ALDH1A1USP2TP53
SCHEMBL8207254 0.88 FNTA (0.47) FNTAFNTB
SCHEMBL8199776 0.87 FNTA (0.49) FNTAFNTB
SCHEMBL8209847 0.86 FNTA (0.41) ALDH1A1FNTAFNTBPGGT1BNPSR1
SCHEMBL8199385 0.85 FNTA (0.52) FNTAFNTB
SCHEMBL8209147 0.84 FNTA (0.40) CA2CA1CA12CA9KMT2A
SCHEMBL8211056 0.83 FNTA (0.40) ALDH1A1FNTAFNTBPGGT1BGAA
SCHEMBL8198655 0.82 FNTA (0.41) FNTAFNTB
SCHEMBL8209424 0.80 FNTA (0.43) FNTAFNTB

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 disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed