SCHEMBL8617653

SCHEMBL8617653

CSCCC(NC(=O)c1ccc(C=C(Cn2ccnc2)c2ccc(F)cc2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP26A1 O43174 5/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK14 Q16539 1/20 0.41
POLB P06746 1/20 0.41
CYP51A1 Q16850 4/20 0.41
CYP19A1 P11511 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL8617640 1.00 FNTA (0.45) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL7703375 1.00 FNTA (0.45) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL7703378 1.00 FNTA (0.45) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL7706112 0.91 FNTA (0.46) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL7703276 0.91 FNTA (0.46) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL7703271 0.91 FNTA (0.46) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL8206537 0.91 FNTA (0.46) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL7706109 0.91 FNTA (0.46) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL7703293 0.88 FNTA (0.52) FNTAFNTB
SCHEMBL7703301 0.88 FNTA (0.52) 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