SCHEMBL23535993

SCHEMBL23535993

CN(C)S(=O)(=O)c1ccc([S+]([O-])c2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 3/20 0.38
CNR1 P21554 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CCR5 P51681 5/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
GRM2 Q14416 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PROKR1 Q8TCW9 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
SCHEMBL29931988 0.88 SMN1; SMN2 (0.36) GPR55CNR1SMN1; SMN2GAAHTT
SCHEMBL23536340 0.86 OPRL1 (0.37) KMT2AGRM2MEN1
SCHEMBL28867485 0.86 OPRL1 (0.37) KMT2AGRM2MEN1
SCHEMBL23536003 0.85 GPR55 (0.38) GPR55CNR1SMN1; SMN2GAAHTT
SCHEMBL29931921 0.83 POLB (0.41) GPR55CNR1SMN1; SMN2GAAHTT
SCHEMBL23536117 0.83 POLB (0.41) GPR55CNR1SMN1; SMN2GAAHTT
SCHEMBL23536363 0.81 MCOLN2 (0.48) SMN1; SMN2GAAHTTLMNAALDH1A1
SCHEMBL23535984 0.81 HTR1A (0.42) GPR55CNR1SMN1; SMN2GAAHTT
SCHEMBL23536124 0.81 TSHR (0.39) GPR55CNR1SMN1; SMN2GAAHTT
SCHEMBL29931867 0.81 TSHR (0.39) GPR55CNR1SMN1; SMN2GAAHTT

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