SCHEMBL22017871

SCHEMBL22017871

CN(C)C(=O)c1cn[n+](CCS(=O)(=O)O)cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
KEAP1 Q14145 1/20 0.35
RAB9A P51151 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ATR Q13535 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
CTSA P10619 1/20 0.32
DRD2 P14416 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL22018678 0.73 BAZ2B (0.39) KMT2AALDH1A1
SCHEMBL22018051 0.71 KMT2A (0.44) MEN1KMT2AKDM4E
SCHEMBL22336233 0.70 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10371575 0.68 KMT2A (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL22018296 0.67 ALDH1A1 (0.30) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30463435 0.66 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL6677412 0.66 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL22018048 0.66 GABRA5 (0.32)
Hydrochloric Acid SCHEMBL20578422 0.65 MEN1 (0.96) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL22018305 0.64 HPGD (0.34) ALDH1A1KDM4E

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