SCHEMBL23716123

SCHEMBL23716123

NC(O)C(NNOc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
METAP2 P50579 4/20 0.37
METAP1 P53582 3/20 0.37
SCN4A P35499 2/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DPP4 P27487 2/20 0.34
F2 P00734 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
SCHEMBL23715928 0.85 IDO1 (0.39) AOC3KDM4EALDH1A1
SCHEMBL23716117 0.76 OGG1 (0.38) AOC3
SCHEMBL23715980 0.73 AOC3 (0.32) AOC3
SCHEMBL23716036 0.70 AOC3 (0.50) AOC3ADRA2AADRA2CLMNAHIF1A
SCHEMBL23716290 0.68 SLC6A4 (0.38) LMNAKDM4EALDH1A1
SCHEMBL23715777 0.65 GPR88 (0.42) METAP2METAP1LMNA
SCHEMBL23715821 0.61 GPR88 (0.43) ALDH1A1
SCHEMBL453395 0.61 DPP4 (0.52) AOC3ADRA2AADRA2CLMNAHIF1A
SCHEMBL7047936 0.61 KDM4E (0.65) AOC3ADRA2AADRA2CLMNAHIF1A
SCHEMBL4451068 0.61 DPP4 (0.52) AOC3ADRA2AADRA2CLMNAHIF1A

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed