SCHEMBL28859641

SCHEMBL28859641

CCCCc1cccc[n+]1C.CS(=O)(=O)[O-]

nearest known ligand 0.48

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 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.48
HSD17B10 Q99714 1/20 0.39
KCNA3 P22001 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CA2 P00918 1/20 0.37
ACHE P22303 2/20 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
SCHEMBL29251900 0.90 HSD17B10 (0.41) KCNH2HSD17B10KCNA3SMN1; SMN2LMNA
Trifluoromethanesulfonic Acid SCHEMBL30330370 0.88 KCNH2 (0.64) KCNH2HSD17B10SMN1; SMN2LMNAHTT
SCHEMBL2938596 0.88 KCNH2 (0.52) KCNH2HSD17B10
SCHEMBL29726482 0.88 KCNH2 (0.52) KCNH2HSD17B10
Hydrochloric Acid SCHEMBL326784 0.86 KCNH2 (0.50) KCNH2HSD17B10
Hydrochloric Acid SCHEMBL30212931 0.86 KCNH2 (0.50) KCNH2HSD17B10
Acetic Acid SCHEMBL16700529 0.84 KCNH2 (0.42) KCNH2HSD17B10
Acetic Acid SCHEMBL30330925 0.84 KCNH2 (0.42) KCNH2HSD17B10
SCHEMBL29252922 0.83 LMNA (0.41) KCNH2HSD17B10KCNA3SMN1; SMN2LMNA
SCHEMBL29251836 0.83 KCNH2 (0.43) KCNH2KCNA3SMN1; SMN2CA2

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
CN-107532129-B Efficient small volume nucleic acid synthesis 生命技术公司 2022-09-13 CN disclosed