SCHEMBL22336362

SCHEMBL22336362

C[n+]1ccc(C(=O)NCC(=O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
EGLN1 Q9GZT9 4/20 0.40
SOST Q9BQB4 1/20 0.40
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
CA9 Q16790 1/20 0.39
PTPRC P08575 2/20 0.38
CTSL P07711 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
Trifluoroacetic Acid SCHEMBL22322615 0.89 KDM4E (0.38) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL22336173 0.85 KDM4E (0.48) KDM4EEGLN1KMT2ATDP1MAPK1
SCHEMBL22322616 0.79 SMN1; SMN2 (0.36) KDM4EEGLN1APOBEC3ACTDSP1APOBEC3G
Trifluoroacetic Acid SCHEMBL22322802 0.77 KDM4E (0.41) KDM4EEGLN1KMT2AMAPK1ALDH1A1
SCHEMBL22336228 0.74 P4HTM (0.53)
Iodide SCHEMBL22322597 0.73 CA2 (0.44) CA1CA2EGLN1KMT2ACA9
SCHEMBL22336302 0.71 ALDH1A1 (0.49) KDM4EMAPTCA1CA2APOBEC3A
SCHEMBL11107537 0.71 KDM4E (0.80) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL22322608 0.71 USP2 (0.44) CA1CA2
Iodide SCHEMBL22322566 0.70 ALDH1A1 (0.47) KDM4EMAPTCA1CA2APOBEC3A

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
WO-2020161248-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed