SCHEMBL26629646

SCHEMBL26629646

CCc1n(OC)cc[n+]1C.CS(=O)(=O)[O-]

nearest known ligand 0.32

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 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
APOBEC3A P31941 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL28722829 0.74 APOBEC3A (0.42) HTTKDM4EAPOBEC3ASMN1; SMN2APOBEC3G
Sulfuric Acid SCHEMBL28723123 0.73 APOBEC3A (0.43) HTTKDM4EAPOBEC3ASMN1; SMN2APOBEC3G
Sulfuric Acid SCHEMBL21195040 0.71 APOBEC3A (0.42) HTTKDM4EAPOBEC3ASMN1; SMN2APOBEC3G
Sulfuric Acid SCHEMBL31285729 0.71 HTT (0.38) HTTSMN1; SMN2
Sulfuric Acid SCHEMBL21195041 0.70 APOBEC3A (0.44) HTTKDM4EAPOBEC3ASMN1; SMN2APOBEC3G
SCHEMBL28599017 0.70 LMNA (0.32) HTT
Trifluoromethanesulfonic Acid SCHEMBL28396209 0.67 KCNH2 (0.38) HTTSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL17179969 0.67 HTT (0.39) HTTKDM4EAPOBEC3ASMN1; SMN2APOBEC3G
Hydrochloric Acid SCHEMBL28638338 0.65 LMNA (0.37) HTTKDM4EAPOBEC3ASMN1; SMN2APOBEC3G
SCHEMBL3003425 0.65 ACHE (0.40) HTTSMN1; SMN2

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-2023205615-A1 ORALLY DISSOLVING ANTIMICROBIAL FILM COMPOSITIONS & METHODS OF THEIR USE ISHA Therapeutics LLC (US) 2023-10-26 WO disclosed