SCHEMBL11268545

SCHEMBL11268545

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
LNPEP Q9UIQ6 4/20 0.45
TYMS P04818 3/20 0.44
TAS1R3 Q7RTX0 6/20 0.41
TAS1R1 Q7RTX1 6/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA2 P00918 1/20 0.39
ERAP2 Q6P179 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
CYP26A1 O43174 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
SCHEMBL11273089 0.87 CA2 (0.52) RAB9ANPC1CA2ERAP2
SCHEMBL11273085 0.87 CA2 (0.52) RAB9ANPC1CA2ERAP2
SCHEMBL17313759 0.85 GAA (0.46) RAB9AGAALNPEPTAS1R3TAS1R1
SCHEMBL5808668 0.80 HDAC6 (0.39) RAB9AGAA
SCHEMBL5808669 0.80 HDAC6 (0.39) RAB9AGAA
SCHEMBL11267792 0.80 RAB9A (0.50) RAB9AGAANPC1CA2
SCHEMBL9830744 0.79 CA2 (0.54) RAB9AGAATAS1R3TAS1R1CA2
SCHEMBL9830731 0.79 CA2 (0.54) RAB9AGAATAS1R3TAS1R1CA2
SCHEMBL11907457 0.79 LNPEP (0.67) RAB9AGAALNPEPTYMSTAS1R3
SCHEMBL17313825 0.78 LNPEP (0.39) RAB9AGAALNPEPTAS1R3TAS1R1

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