SCHEMBL23926322

SCHEMBL23926322

CC(C)NCCNC(C)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIA1 P42261 3/20 0.33
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL28387464 0.90 GRIA1 (0.36) GRIA1CA12CA7CA9CA14
SCHEMBL2869288 0.81 GRIA1 (0.33) MEN1KMT2AGRIA1
SCHEMBL28096531 0.81 CA1 (0.39) LMNAGRIA1CA12CA7CA14
SCHEMBL148567 0.79 GABRR1 (0.33) LMNABLMGRIA1
SCHEMBL19583223 0.79 PTGS1 (0.33) LMNABLMGRIA1
SCHEMBL11145285 0.79 GRIA1 (0.37) LMNAGRIA1
SCHEMBL28977313 0.79 ANPEP (0.32) KMT2AGRIA1
SCHEMBL31622341 0.77 GABRR1 (0.32) LMNABLMGRIA1
SCHEMBL11667830 0.77 TP53 (0.45) CA12CA7CA9CA14
SCHEMBL10807218 0.77 CA2 (0.43) MEN1KMT2AGRIA1CA12CA7

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-11155726-B2 Inkjet ink(s) HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2021-10-26 US claimed