SCHEMBL22017895

SCHEMBL22017895

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 8/20 0.38
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL22018670 0.86 SMN1; SMN2 (0.44) SMN1; SMN2HPGDALDH1A1LMNAPKM
SCHEMBL22018101 0.85 CA12 (0.37) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL24145388 0.82 LOXL2 (0.34) KMT2AL3MBTL1KDM4E
SCHEMBL22017892 0.82 CA2 (0.45) KMT2AKDM4E
SCHEMBL22018318 0.82 HPGD (0.40) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL22018302 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HPGDALDH1A1LMNAPKM
SCHEMBL22018672 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HPGDALDH1A1LMNAPKM
SCHEMBL22018651 0.79 RORC (0.34)
SCHEMBL24145389 0.71 LOXL2 (0.35) RAB9AL3MBTL1KDM4E
SCHEMBL22018040 0.71 KDM4E (0.48) SMN1; SMN2HPGDALDH1A1MEN1KMT2A

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