SCHEMBL22018046

SCHEMBL22018046

O=C(NC1CC1)c1cc[n+](CCS(=O)(=O)[O-])nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 1/20 0.38
GRM5 P41594 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22018309 0.84 CA12 (0.36) LMNACA12CA9KMT2AHPGD
SCHEMBL22018041 0.83 CA2 (0.44)
SCHEMBL28634617 0.82 CA2 (0.41) CA12CA9HPGDSMN1; SMN2GRM5
SCHEMBL22018045 0.81 ALDH1A1 (0.41) KMT2ANPC1SMN1; SMN2MEN1RAB9A
SCHEMBL22018040 0.81 KDM4E (0.48) CA12CA9KMT2AHPGDSMN1; SMN2
SCHEMBL22018290 0.80 CA12 (0.41) LMNACA12CA9KMT2AHPGD
SCHEMBL22018050 0.78 ALDH1A1 (0.47) CA12CA9KMT2AHPGDNPC1
SCHEMBL22018670 0.77 SMN1; SMN2 (0.44) LMNAKMT2AHPGDNPC1SMN1; SMN2
SCHEMBL22018656 0.77 KMT2A (0.42) LMNAKMT2AHPGDNPC1SMN1; SMN2
SCHEMBL22018666 0.77 CA2 (0.50) CA12CA9KMT2ACA1

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