SCHEMBL29948481

SCHEMBL29948481

CCOC(=O)C1CCN(c2c(F)cccc2C(C)OS(C)(=O)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 10/20 0.46
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL23536337 1.00 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EPOLBTSHRKMT2A
SCHEMBL29948520 0.86 KDM4E (0.54) SMN1; SMN2KDM4EPOLBTSHRKMT2A
SCHEMBL23536343 0.86 KDM4E (0.54) SMN1; SMN2KDM4EPOLBTSHRKMT2A
SCHEMBL14804205 0.84 KDM4E (0.64) SMN1; SMN2KDM4EPOLBTSHRKMT2A
SCHEMBL23536016 0.80 KMT2A (0.47) SMN1; SMN2KDM4EPOLBTSHRKMT2A
SCHEMBL14804206 0.79 TSHR (0.67) SMN1; SMN2KDM4EPOLBTSHRKMT2A
SCHEMBL23536170 0.78 KDM4E (0.57) SMN1; SMN2KDM4EPOLBTSHRKMT2A
SCHEMBL29948562 0.78 KDM4E (0.57) SMN1; SMN2KDM4EPOLBTSHRKMT2A
SCHEMBL23536095 0.78 KDM4E (0.57) SMN1; SMN2KDM4EPOLBTSHRKMT2A
SCHEMBL29948600 0.78 KDM4E (0.57) SMN1; SMN2KDM4EPOLBTSHRKMT2A

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