SCHEMBL29252178

SCHEMBL29252178

CCc1cccc[n+]1CC.CS(=O)(=O)O

nearest known ligand 0.36

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 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PSIP1 O75475 1/20 0.35

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
SCHEMBL29252174 0.89 PSIP1 (0.35) KDM4EPSIP1
SCHEMBL29561021 0.87 TP53 (0.40) KDM4E
SCHEMBL642718 0.87 TP53 (0.40) KDM4E
SCHEMBL29251631 0.86 KDM4E (0.35) KDM4E
SCHEMBL29251600 0.86 PSIP1 (0.33) KDM4EPSIP1
Iodide SCHEMBL31026694 0.85 KDM4E (0.42) KDM4E
Hydrochloric Acid SCHEMBL9327099 0.85 KDM4E (0.39) KDM4E
Iodide SCHEMBL9877545 0.85 KDM4E (0.42) KDM4E
Hydrochloric Acid SCHEMBL30330520 0.85 KDM4E (0.39) KDM4E
Bromide SCHEMBL15941654 0.85 NPC1 (0.41) KDM4E

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-117999475-A Electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2024-05-07 CN disclosed