SCHEMBL22017886

SCHEMBL22017886

CC(=O)NNC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
KDM4E B2RXH2 4/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
CYP2C9 P11712 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
EGLN1 Q9GZT9 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22018297 0.85 BAZ2B (0.39) KDM4EPOLBHPGDEGLN1CYP2D6
SCHEMBL22018315 0.83 MEN1 (0.34) KDM4EPOLBALDH1A1CYP2C9MAPT
SCHEMBL22018099 0.82 MAPK1 (0.35) KDM4EGAACYP2C9MAPTMEN1
SCHEMBL22018316 0.82 MAPK1 (0.38) KDM4EPOLBALDH1A1CYP2C9MEN1
SCHEMBL22336368 0.79 P4HTM (0.36) TP53KDM4EPOLBALDH1A1GAA
SCHEMBL22336364 0.79 CA2 (0.40) KDM4EMEN1KMT2AHPGDEGLN1
SCHEMBL22018667 0.79 CA1 (0.41) KDM4ECYP2C9
SCHEMBL22018657 0.78 NPC1 (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL22322580 0.78 HCAR2 (0.39) KDM4EPOLBALDH1A1GAACYP2C9
SCHEMBL22322578 0.77 KDM4E (0.33) KDM4EPOLBCYP2D6TSHRHSD17B10

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