SCHEMBL31421964

SCHEMBL31421964

COC(=O)c1nc(OCCO[Si](C)(C)C(C)(C)C)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
S1PR4 O95977 1/20 0.35
DUT P33316 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 2/20 0.30
ALDH1A1 P00352 1/20 0.30
NPC1 O15118 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
SCHEMBL31421962 1.00 CA12 (0.39) CA12CA1CA2CA9CA14
SCHEMBL31421965 0.80 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL18246692 0.78 MAPT (0.44) CA12CA1CA2CA9CA14
SCHEMBL25619986 0.78 MAPT (0.37) CA12CA1CA2CA9CA14
SCHEMBL31421971 0.77 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL31421968 0.77 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL19556067 0.76 MAPK1 (0.47) MAPTL3MBTL1RAB9A
SCHEMBL21360006 0.75 L3MBTL1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL17892764 0.74 NPSR1 (0.47) CA1CA2MAPTNPSR1L3MBTL1
SCHEMBL2804514 0.72 NOTUM (0.41) CA12CA1CA2CA9CA14

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-2025085703-A1 METHODS FOR TREATING P53-ASSOCIATED CANCER SCORPION THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed