SCHEMBL8625049

SCHEMBL8625049

CSCC[C@H](NC(=O)c1ccc(N)c2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.59
FNTB P49356 7/20 0.59
PGGT1B P53609 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA2 P00918 2/20 0.51
CA1 P00915 1/20 0.51
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8370132 0.93 FNTA (0.64) FNTAFNTBPGGT1BCA2CA1
Cysteine SCHEMBL8703964 0.92 FNTA (0.67) FNTAFNTBPGGT1BTDP1
SCHEMBL8623996 0.88 FNTA (0.60) FNTAFNTBPGGT1BTDP1CA2
Hydrochloric Acid SCHEMBL8498542 0.87 FNTA (0.59) FNTAFNTBTDP1ALDH1A1KMT2A
SCHEMBL2330623 0.85 CA2 (0.55) FNTAFNTBPGGT1BTDP1CA2
SCHEMBL2330625 0.85 CA2 (0.55) FNTAFNTBPGGT1BTDP1CA2
SCHEMBL2324069 0.82 FNTA (0.62) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL9828951 0.82 FNTA (0.62) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL2327913 0.82 FNTA (0.50) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL8624885 0.81 FNTA (0.52) FNTAFNTBPGGT1BTDP1CA2

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-0842150-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID INHIBITORS Aventis Pharma S.A. (FR) 1998-05-20 EP disclosed
WO-1997003047-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID INHIBITORS Rhône-Poulenc Rorer S.A. (FR) 1997-01-30 WO disclosed