SCHEMBL30212874

SCHEMBL30212874

CCCCc1ccc[n+](C)c1.CS(=O)(=O)[O-]

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GGPS1 O95749 2/20 0.41
CNR2 P34972 1/20 0.40
FDPS P14324 1/20 0.40
KCNH2 Q12809 6/20 0.39
USP2 O75604 1/20 0.39
FDFT1 P37268 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL3820921 0.89 HDAC8 (0.43) CA2SMN1; SMN2GGPS1FDPSKCNH2
Trifluoromethanesulfonic Acid SCHEMBL29252804 0.88 KCNH2 (0.55) CA2SMN1; SMN2GGPS1CNR2FDPS
Fluoride Ion SCHEMBL30330501 0.88 HDAC8 (0.42) CA2SMN1; SMN2GGPS1FDPSKCNH2
Bromide SCHEMBL27897836 0.88 HDAC8 (0.42) CA2SMN1; SMN2GGPS1FDPSKCNH2
SCHEMBL30330020 0.84 HDAC8 (0.40) CA2SMN1; SMN2GGPS1FDPSKCNH2
SCHEMBL5818874 0.84 TDP1 (0.47) CA2GGPS1FDPSKCNH2
SCHEMBL29252367 0.84 GGPS1 (0.48) CA2SMN1; SMN2GGPS1CNR2FDFT1
SCHEMBL23004446 0.83 FUT7 (0.47) CA2GGPS1KCNH2
SCHEMBL29252424 0.83 CA2 (0.51) CA2SMN1; SMN2CNR2KCNH2FDFT1
SCHEMBL28734702 0.83 HDAC8 (0.38) CA2SMN1; SMN2GGPS1FDPSGPR84

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
WO-2023046704-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2023-03-30 WO disclosed
EP-4155723-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2023-03-29 EP disclosed