SCHEMBL22015897

SCHEMBL22015897

Cn1ncnc1-c1c[n+](CCS(=O)(=O)[O-])ns1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
KDM4A O75164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ABL1 P00519 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CDH1 P12830 1/20 0.31
TCF4 P15884 1/20 0.31
TSHR P16473 1/20 0.31
APC P25054 1/20 0.31
CASP1 P29466 1/20 0.31
CTNNB1 P35222 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 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
SCHEMBL21963669 0.72 PABPC1 (0.31)
SCHEMBL21964020 0.68 LTA4H (0.30)
SCHEMBL22015656 0.65 PABPC1 (0.38) KDM4EALDH1A1POLBMAPTTHRB
SCHEMBL22015898 0.61 PABPC1 (0.35) KDM4EALDH1A1POLBMAPTTHRB
SCHEMBL22014609 0.59
SCHEMBL22322788 0.58 ALDH1A1 (0.33) KDM4EALDH1A1MAPTRAB9ANPSR1
SCHEMBL21963680 0.57
SCHEMBL17754091 0.52 PDE2A (0.39) KDM4ENPC1ALDH1A1LMNATP53
SCHEMBL308793 0.49
SCHEMBL24311784 0.49 KDM4E (0.33) KDM4ENPC1KDM4AALDH1A1ABL1

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-2020099404-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed