SCHEMBL29931997

SCHEMBL29931997

CN(C)S(=O)(=O)c1ccc(S(N)(=O)=O)c(-c2nc(C3CCN(c4ccc(Cl)cc4F)CC3)nn2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR55 Q9Y2T6 2/20 0.37
ALDH1A1 P00352 3/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
ADORA2B P29275 1/20 0.34
DRD4 P21917 1/20 0.34
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.33
PRCP P42785 1/20 0.33
PRNP P04156 1/20 0.33
F10 P00742 6/20 0.33

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
SCHEMBL29932118 0.87 GAA (0.38) GAAHTTLMNATP53SMN1; SMN2
SCHEMBL29931920 0.86 GAA (0.37) GAAHTTLMNATP53SMN1; SMN2
SCHEMBL29931995 0.84 LMNA (0.38) GAAHTTLMNATP53SMN1; SMN2
SCHEMBL29932225 0.82 GAA (0.40) GAAHTTLMNATP53SMN1; SMN2
SCHEMBL30232726 0.81 LMNA (0.41) GAAHTTLMNATP53SMN1; SMN2
SCHEMBL29932150 0.81 LMNA (0.38) GAAHTTLMNATP53SMN1; SMN2
SCHEMBL29932027 0.79 ALDH1A1 (0.41) GAAHTTLMNATP53SMN1; SMN2
SCHEMBL23536504 0.74 DRD4 (0.42) HTTLMNAALDH1A1POLBADORA2B
SCHEMBL29931890 0.74 DRD4 (0.42) HTTLMNAALDH1A1POLBADORA2B
SCHEMBL29931746 0.73 ALDH1A1 (0.40) GAAHTTLMNATP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed