SCHEMBL22018297

SCHEMBL22018297

CNC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.39
PLK1 P53350 7/20 0.39
GRM5 P41594 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC2 Q92769 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
BRD4 O60885 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 1/20 0.31
KDM6B O15054 1/20 0.31
FTO Q9C0B1 1/20 0.31

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 SCHEMBL21964157 0.90 BAZ2B (0.33) BAZ2BPLK1GRM5HDAC6
SCHEMBL22018099 0.86 MAPK1 (0.35) HDAC6KDM4EBRD4HPGD
SCHEMBL22017886 0.85 TP53 (0.42) KDM4EPOLBTSHRHPGDCYP2D6
SCHEMBL22018315 0.83 MEN1 (0.34) KDM4EPOLBHPGDCA2EGLN1
SCHEMBL22336368 0.83 P4HTM (0.36) KDM4EPOLBTSHRHPGDCYP2D6
SCHEMBL22336364 0.82 CA2 (0.40) KDM4EHPGDCA2EGLN1
SCHEMBL22017877 0.82 CTSL (0.35) EGLN1
SCHEMBL22018316 0.82 MAPK1 (0.38) HDAC6KDM4EPOLBHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL22322580 0.81 HCAR2 (0.39) KDM4EPOLBTSHRHPGDCYP2D6
SCHEMBL22322578 0.80 KDM4E (0.33) KDM4EPOLBTSHRCYP2D6HSD17B10

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed