SCHEMBL29948358

SCHEMBL29948358

COC1(CN2C[C@@H](C)O[C@@H](C)C2)CCN(c2c(F)cccc2-c2cc(S(N)(=O)=O)ccc2S(=O)(=O)N(C)C)CC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.30
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 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
SCHEMBL29948588 0.90 TDP1 (0.32) TDP1
SCHEMBL29931911 0.79 MCOLN2 (0.45)
SCHEMBL29931939 0.78 MELK (0.33) TDP1
SCHEMBL23536061 0.75 KDM1A (0.33)
SCHEMBL23535954 0.73 ALDH1A1 (0.43) TDP1
SCHEMBL29932094 0.73 ALDH1A1 (0.43) TDP1
SCHEMBL23536497 0.69 PAX8 (0.36)
SCHEMBL29931763 0.69 PAX8 (0.36)
SCHEMBL29932016 0.68 MCOLN2 (0.47)
SCHEMBL29931901 0.68 MCOLN2 (0.47)

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
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed