SCHEMBL11273089

SCHEMBL11273089

Nc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.52
CA1 P00915 8/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ERAP2 Q6P179 1/20 0.42
PTPN1 P18031 2/20 0.41
GPR132 Q9UNW8 1/20 0.39

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
SCHEMBL11273085 1.00 CA2 (0.52) CA2CA1NPC1RAB9AERAP2
SCHEMBL1310656 0.88 ACE (0.48) CA2CA1PTPN1GPR132
SCHEMBL1310658 0.88 ACE (0.48) CA2CA1PTPN1GPR132
SCHEMBL9828763 0.88 PIN1 (0.43) CA2CA1PTPN1GPR132
SCHEMBL9828758 0.88 PIN1 (0.43) CA2CA1PTPN1GPR132
SCHEMBL11268545 0.87 RAB9A (0.46) CA2NPC1RAB9AERAP2
SCHEMBL5575842 0.85 CA2 (0.43) CA2CA1PTPN1GPR132
SCHEMBL9830744 0.84 CA2 (0.54) CA2CA1RAB9APTPN1GPR132
SCHEMBL17313791 0.84 CA2 (0.40) CA2CA1PTPN1GPR132
SCHEMBL9830731 0.84 CA2 (0.54) CA2CA1RAB9APTPN1GPR132

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337339-A Process for preparation of folic acid derivatives BAKER INSTRUMENTS CORP. (US) 1982-06-29 US disclosed
US-4326060-A 6-FORMYLPTERIN, P-AMINOBENZOYL AMINO ACID BAKER INSTRUMENTS CORPORATION (US) 1982-04-20 US disclosed
US-4314988-A Folic acid derivatives and process for preparation BAKER INSTRUMENTS CORP. (US) 1982-02-09 US disclosed
US-4298735-A Folic acid derivatives UNION CARBIDE CORPORATION (US) 1981-11-03 US disclosed