SCHEMBL22018103

SCHEMBL22018103

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
HPGDS O60760 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAMPT P43490 2/20 0.32
ALPL P05186 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GABRA5 P31644 1/20 0.32
BRD4 O60885 1/20 0.31
LOXL2 Q9Y4K0 2/20 0.31
KMT2A Q03164 3/20 0.31
MAPK14 Q16539 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
LMNA P02545 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
SCHEMBL22018321 0.93 CA12 (0.35) CA12CA9HPGDSNPC1RAB9A
SCHEMBL22018290 0.84 CA12 (0.41) CA12CA9HPGDSNPC1RAB9A
SCHEMBL22018679 0.82 CA12 (0.37) CA12CA9HPGDSNPC1RAB9A
SCHEMBL22018101 0.82 CA12 (0.37) CA12CA9HPGDSNPC1RAB9A
SCHEMBL22018323 0.82 ALDH1A1 (0.39) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL22017897 0.81 CA12 (0.43) CA12CA9
SCHEMBL22018302 0.79 SMN1; SMN2 (0.40) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL22018099 0.77 MAPK1 (0.35) HPGDSBRD4KMT2AMAPK14KDM4E
SCHEMBL22018680 0.75 MAPK1 (0.39) HPGDSALDH1A1MAPK14KDM4ECYP1A2
SCHEMBL22017876 0.75 HPGDS (0.40) HPGDSALPLALDH1A1GABRA5KMT2A

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