SCHEMBL29948588

SCHEMBL29948588

C[C@@H]1CN(CC2(F)CCN(c3c(F)cccc3-c3cc(S(N)(=O)=O)ccc3S(=O)(=O)N(C)C)CC2)C[C@H](C)O1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29948358 0.90 TDP1 (0.30) TDP1
SCHEMBL29931939 0.79 MELK (0.33) TDP1SMN1; SMN2
SCHEMBL29932016 0.78 MCOLN2 (0.47)
SCHEMBL23536010 0.73 KDM1A (0.34)
SCHEMBL28867476 0.71 ALDH1A1 (0.42) TDP1SMN1; SMN2
SCHEMBL29931901 0.69 MCOLN2 (0.47)
SCHEMBL29931763 0.69 PAX8 (0.36) SMN1; SMN2
SCHEMBL23536497 0.69 PAX8 (0.36) SMN1; SMN2
SCHEMBL29931911 0.68 MCOLN2 (0.45)
SCHEMBL29932104 0.66 SMN1; SMN2 (0.33) SMN1; SMN2

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