SCHEMBL23565829

SCHEMBL23565829

C=CC(=O)NCCC[N+](C)(C)CC(O)CS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CBLB Q13191 5/20 0.34
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL23542769 0.90 ZDHHC20 (0.44) KMT2AATMZDHHC20ZDHHC2CBLB
SCHEMBL11409313 0.88 KMT2A (0.40) KMT2AATMZDHHC20ZDHHC2CBLB
SCHEMBL23201936 0.88 KMT2A (0.40) KMT2AATMZDHHC20ZDHHC2CBLB
Hydrochloric Acid SCHEMBL8674800 0.86 ZDHHC20 (0.47) KMT2AATMZDHHC20ZDHHC2CBLB
SCHEMBL25211286 0.85 ZDHHC20 (0.46) KMT2AATMZDHHC20ZDHHC2CBLB
Hydrochloric Acid SCHEMBL8670783 0.83 ZDHHC20 (0.45) KMT2AATMZDHHC20ZDHHC2CBLB
SCHEMBL25625947 0.82 KMT2A (0.40) KMT2AATMZDHHC20ZDHHC2CBLB
SCHEMBL16356899 0.82 ZDHHC20 (0.49) KMT2AATMZDHHC20ZDHHC2CBLB
SCHEMBL23565477 0.82 KMT2A (0.31) KMT2AATM
SCHEMBL8466001 0.81 ZDHHC20 (0.40) KMT2AATMZDHHC20ZDHHC2ALDH1A1

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-2021122631-A1 POLYMER ADDITIVE COMPRISING ZWITTERIONIC MOIETIES FOR VINYLIDENE FLUORIDE POLYMER BASED MEMBRANES SOLVAY SA (BE) 2021-06-24 WO disclosed