SCHEMBL23536405

SCHEMBL23536405

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2ccc(C3CCNCC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HTR6 P50406 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
NMT1 P30419 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 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
SCHEMBL3681530 0.76 SMN1; SMN2 (0.49) ALDH1A1HTTNPSR1USP2ALOX15
SCHEMBL17117325 0.74 HTR2C (0.50) HTR2CHTR2BALDH1A1HTTHTR6
SCHEMBL23536303 0.73 MAPK14 (0.40) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4650978 0.71 SMN1; SMN2 (0.39) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL4770290 0.68 HTR2C (0.50) HTR2CHTR2BALDH1A1HTTNMT1
SCHEMBL28867493 0.67 NMT1 (0.38) HTR2CHTR2BHTR6NMT1
SCHEMBL20292039 0.66 DDB1 (0.46) HTR2CMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL14138619 0.65 GPR119 (0.47) HTR2CHTR2BALDH1A1HTR6MEN1
Hydrochloric Acid SCHEMBL31510718 0.65 DDB1 (0.45) HTR2CMEN1KMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4768645 0.64 GBA1 (0.50) HTR2CHTR2BALDH1A1HTTNMT1

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