SCHEMBL29913880

SCHEMBL29913880

C[C@H](O)CNS(=O)(=O)c1ccc(O)cc1C[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.49
▸ SPPL2A Q8TCT8 1/20 0.38
▸ FEN1 P39748 7/20 0.37
▸ ALOX5AP P20292 6/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ LAP3 P28838 2/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ RNPEP Q9H4A4 1/20 0.36
▸ DNPEP Q9ULA0 1/20 0.36
▸ ADRB2 P07550 4/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.34

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
SCHEMBL30718534 0.94 F2 (0.49) F2SPPL2AFEN1ALOX5APCSNK1E
SCHEMBL8178414 0.89 F2 (0.54) F2SPPL2ACSNK1ELAP3ANPEP
SCHEMBL29913704 0.87 F2 (0.52) F2
SCHEMBL30718537 0.87 F2 (0.52) F2
SCHEMBL30718508 0.82 F2 (0.48) F2SPPL2ACSNK1ELAP3ANPEP
SCHEMBL30718544 0.81 F2 (0.47) F2SPPL2AFEN1ALOX5APCSNK1E
SCHEMBL6066041 0.81 F2 (0.51) F2SPPL2AFEN1ALOX5APCSNK1E
SCHEMBL4373557 0.81 F2 (0.51) F2SPPL2AFEN1ALOX5APCSNK1E
SCHEMBL29913751 0.81 F2 (0.52) F2SPPL2A
SCHEMBL29913816 0.80 F2 (0.46) F2SPPL2ALAP3ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113277991-B Nitrogen heterocyclic ring amino derivative, preparation method thereof and anti-HIV-1 drug 中国医学科学院医药生物技术研究所 2022-07-12 — — CN disclosed
Send feedback