SCHEMBL9493028

SCHEMBL9493028

NC(CCO)CS(=O)(=O)O.O=S(=O)(O)CCN1CCN(CCO)CC1.O=S(=O)(O)CCN1CCN(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2028838 0.82 CHRM2 (0.36) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL2229127 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL9790 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL2417 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL6370319 0.81 KMT2A (0.42) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL21752841 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL21752879 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL3365751 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL21752977 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL21752843 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHTTKMT2A

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
US-5259939-A Dynamic buffer coating BECKMAN INSTRUMENTS, INC. (US) 1993-11-09 US disclosed