SCHEMBL28628306

SCHEMBL28628306

CS(=O)(=O)OCCN(CC(=O)O)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 1/20 0.40
MMP9 P14780 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
BLM P54132 2/20 0.34
PMP22 Q01453 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL14280293 0.82 USP2 (0.52) LMNAALDH1A1TSHRKDM4EALOX15
SCHEMBL22345342 0.78 CA12 (0.36) LMNAALDH1A1TSHRKDM4EALOX15
SCHEMBL14380333 0.77 TDP1 (0.39) LMNAALDH1A1TSHRKDM4EALOX15
SCHEMBL28628057 0.76 KDM4E (0.39) LMNAALDH1A1TSHRKDM4EALOX15
SCHEMBL278865 0.76 CA1 (0.46) LMNAALDH1A1TSHRKDM4EALOX15
SCHEMBL15648362 0.72 GPR84 (0.43) ALDH1A1TSHRALOX15HSD17B10TDP1
SCHEMBL26733343 0.72 TAS2R14 (0.37) LMNAALDH1A1TSHRKDM4EALOX15
SCHEMBL12721519 0.71 SMN1; SMN2 (0.36) LMNAALDH1A1TSHRKDM4EALOX15
SCHEMBL27000144 0.70 KDM4C (0.40) ALDH1A1MAPK1SMN1; SMN2POLBBLM
SCHEMBL4499222 0.70 SMN1; SMN2 (0.51) LMNAALDH1A1TSHRSMN1; SMN2POLB

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
CN-113439081-A Pyridazinium compounds for use in methods of controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-24 CN disclosed