SCHEMBL22018321

SCHEMBL22018321

CCNC(=O)c1cc[n+](CCCOS(=O)(=O)[O-])nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
HPGDS O60760 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
BLM P54132 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NAMPT P43490 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALPL P05186 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GABRA5 P31644 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
SCHEMBL22018103 0.93 CA12 (0.36) CA12CA9HPGDSHPGDEPHX2
SCHEMBL22018323 0.89 ALDH1A1 (0.39) CYP2C19HSD17B10HPGDNPC1RAB9A
SCHEMBL22017897 0.88 CA12 (0.43) CA12CA9CYP2C19HSD17B10CA2
SCHEMBL22018302 0.86 SMN1; SMN2 (0.40) CYP2C19HSD17B10HPGDRAB9AALDH1A1
SCHEMBL22018679 0.85 CA12 (0.37) CA12CA9HPGDSHPGDNPC1
SCHEMBL22018309 0.83 CA12 (0.36) CA12CA9HPGDRAB9AALDH1A1
SCHEMBL22018290 0.82 CA12 (0.41) CA12CA9HPGDSHPGDNPC1
SCHEMBL22018101 0.80 CA12 (0.37) CA12CA9HPGDSHPGDNPC1
SCHEMBL22018682 0.79 HPGDS (0.37) HPGDSCYP2C19HSD17B10HPGDTSHR
SCHEMBL22018680 0.78 MAPK1 (0.39) HPGDSCYP2C19HPGDMAPK1ALDH1A1

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