SCHEMBL22018670

SCHEMBL22018670

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 8/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 3/20 0.40
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 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
SCHEMBL22017895 0.86 SMN1; SMN2 (0.42) SMN1; SMN2HPGDALDH1A1LMNAPKM
SCHEMBL22018290 0.84 CA12 (0.41) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL22018302 0.83 SMN1; SMN2 (0.40) SMN1; SMN2HPGDALDH1A1LMNAPKM
SCHEMBL22018040 0.82 KDM4E (0.48) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL22018672 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HPGDALDH1A1LMNAPKM
SCHEMBL28634617 0.81 CA2 (0.41) SMN1; SMN2HPGDHTT
SCHEMBL22018666 0.81 CA2 (0.50) KMT2AKDM4E
SCHEMBL22018656 0.81 KMT2A (0.42) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL22018041 0.80 CA2 (0.44) CYP2C9
SCHEMBL22018668 0.80 CA2 (0.50) ALDH1A1LMNAKDM4EL3MBTL1

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