SCHEMBL23536358

SCHEMBL23536358

CN(C)S(=O)(=O)c1ccc(/N=C(/c2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 4/20 0.38
CNR1 P21554 3/20 0.38
SLC9A1 P19634 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
CNR2 P34972 1/20 0.35
PAX8 Q06710 1/20 0.35
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRL1 P41146 1/20 0.34
PRNP P04156 1/20 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
SCHEMBL29948480 1.00 GPR55 (0.38) GPR55CNR1SLC9A1TP53SMN1; SMN2
SCHEMBL23536117 0.79 POLB (0.41) GPR55CNR1TP53SMN1; SMN2HTT
SCHEMBL29931921 0.79 POLB (0.41) GPR55CNR1TP53SMN1; SMN2HTT
SCHEMBL23536363 0.79 MCOLN2 (0.48) SMN1; SMN2HTTALDH1A1KMT2APOLB
SCHEMBL29932099 0.77 SMN1; SMN2 (0.40) GPR55CNR1SLC9A1TP53SMN1; SMN2
SCHEMBL23536029 0.77 SMN1; SMN2 (0.40) GPR55CNR1SLC9A1TP53SMN1; SMN2
SCHEMBL29931867 0.77 TSHR (0.39) GPR55CNR1TP53SMN1; SMN2HTT
SCHEMBL23536124 0.77 TSHR (0.39) GPR55CNR1TP53SMN1; SMN2HTT
SCHEMBL23535984 0.77 HTR1A (0.42) GPR55CNR1TP53SMN1; SMN2HTT
SCHEMBL29932077 0.77 HTR1A (0.42) GPR55CNR1TP53SMN1; SMN2HTT

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed