SCHEMBL22018323

SCHEMBL22018323

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HPGD P15428 4/20 0.38
KMT2A Q03164 7/20 0.37
TP53 P04637 2/20 0.35
MEN1 O00255 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22018321 0.89 CA12 (0.35) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL22017897 0.86 CA12 (0.43) CYP2C19HSD17B10
SCHEMBL22018318 0.84 HPGD (0.40) ALDH1A1HPGDKMT2ATP53MEN1
SCHEMBL22018302 0.84 SMN1; SMN2 (0.40) ALDH1A1HPGDKMT2ATP53MEN1
SCHEMBL22018309 0.83 CA12 (0.36) ALDH1A1HPGDKMT2ARAB9A
SCHEMBL22018103 0.82 CA12 (0.36) ALDH1A1HPGDKMT2AMEN1CYP1A2
SCHEMBL22018040 0.74 KDM4E (0.48) ALDH1A1HPGDKMT2ATP53MEN1
SCHEMBL22018679 0.74 CA12 (0.37) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL22018101 0.71 CA12 (0.37) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL24145388 0.71 LOXL2 (0.34) KMT2AKDM4E

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