SCHEMBL23536003

SCHEMBL23536003

CN(C)S(=O)(=O)c1ccc([S+]([O-])Cc2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 3/20 0.38
CNR1 P21554 2/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
PAX8 Q06710 1/20 0.35
GRM2 Q14416 3/20 0.35
CCR5 P51681 3/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL29931827 0.87 SMN1; SMN2 (0.36) GPR55CNR1TSHRNPSR1TP53
SCHEMBL23536038 0.87 OPRL1 (0.37) TSHRNPSR1GRM2KMT2AOPRL1
SCHEMBL28867507 0.87 OPRL1 (0.37) TSHRNPSR1GRM2KMT2AOPRL1
SCHEMBL29931867 0.86 TSHR (0.39) GPR55CNR1TSHRNPSR1TP53
SCHEMBL23536124 0.86 TSHR (0.39) GPR55CNR1TSHRNPSR1TP53
SCHEMBL23535993 0.85 GPR55 (0.38) GPR55CNR1TP53SMN1; SMN2GAA
SCHEMBL29932103 0.84 TSHR (0.38) GPR55CNR1TSHRNPSR1TP53
SCHEMBL23536658 0.84 KMT2A (0.40) TSHRNPSR1TP53SMN1; SMN2GAA
SCHEMBL23536136 0.84 TSHR (0.38) GPR55CNR1TSHRNPSR1TP53
SCHEMBL23536117 0.81 POLB (0.41) GPR55CNR1TP53SMN1; SMN2GAA

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 3 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
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed