SCHEMBL7998256

SCHEMBL7998256

CC[C@H](C)[C@@H](CN(CC(=O)O)Cc1ccccc1)NC(=O)c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 5/20 0.39
▸ FNTB P49356 5/20 0.39
▸ PPARG P37231 2/20 0.36
▸ PTPN1 P18031 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MME P08473 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ CPA1 P15085 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ ANPEP P15144 1/20 0.31
▸ PGGT1B P53609 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
SCHEMBL7626120 0.85 FNTA (0.58) FNTAFNTBMEN1KMT2APGGT1B
SCHEMBL7626104 0.85 FNTA (0.58) FNTAFNTBMEN1KMT2APGGT1B
SCHEMBL7623245 0.83 FNTA (0.52) FNTAFNTBKMT2APGGT1B
SCHEMBL7623241 0.83 FNTA (0.52) FNTAFNTBKMT2APGGT1B
SCHEMBL7622462 0.74 FNTA (0.69) FNTAFNTBMEN1KMT2AMME
SCHEMBL7622474 0.74 FNTA (0.69) FNTAFNTBMEN1KMT2AMME
SCHEMBL6056526 0.73 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL6056534 0.73 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL7837953 0.72 SMN1; SMN2 (0.45) MEN1KMT2A
SCHEMBL7451211 0.72 SMN1; SMN2 (0.45) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840605-A4 COMPOUNDS USEFUL IN THE TREATMENT OF NEUROFIBROMATOSIS UNIV CINCINNATI (US) 2000-05-10 — — EP disclosed
EP-0840605-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEUROFIBROMATOSIS University of Cincinnati (US) 1998-05-13 — — EP disclosed
WO-1997002817-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEUROFIBROMATOSIS UNIVERSITY OF CINCINNATI (US) 1997-01-30 — — WO disclosed
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