SCHEMBL30397338

SCHEMBL30397338

N[C@@H]1CCC[C@H](c2nnc3cc(S(=O)(=O)N4CCOCC4)ccn23)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.37
GRM2 Q14416 1/20 0.37
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL30397831 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL30398306 0.83 GRM2 (0.38) GRM2MAPK1
SCHEMBL30396233 0.83 GRM2 (0.38) GRM2MAPK1
SCHEMBL30397394 0.79 GRM2 (0.37) ALDH1A1MEN1KMT2AGRM2
SCHEMBL25526353 0.73 GRM2 (0.43) GRM2MAPK1
SCHEMBL30397943 0.72 MAPK13 (0.41) GRM2
SCHEMBL30397669 0.72 MAPK13 (0.41) GRM2
SCHEMBL25523929 0.71 GRM2 (0.40) SMN1; SMN2ALDH1A1HPGDPOLBMAPT
SCHEMBL25521381 0.71 GRM2 (0.40) GRM2MAPK1
SCHEMBL25522679 0.71 GRM2 (0.40) GRM2

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed