SCHEMBL29252007

SCHEMBL29252007

CCCCCCC[N+]1(C)CCCC1.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 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
TSHR P16473 2/20 0.46
BLM P54132 2/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PMP22 Q01453 1/20 0.46
BBOX1 O75936 2/20 0.43
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
KMT2A Q03164 1/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
CDC25A P30304 2/20 0.37
RECQL P46063 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29252856 1.00 LMNA (0.46) LMNATSHRBLMCYP3A4TDP1
SCHEMBL29251792 1.00 LMNA (0.46) LMNATSHRBLMCYP3A4TDP1
SCHEMBL29252834 1.00 LMNA (0.46) LMNATSHRBLMCYP3A4TDP1
SCHEMBL29252846 0.98 LMNA (0.45) LMNATSHRBLMCYP3A4TDP1
SCHEMBL29251762 0.98 LMNA (0.45) LMNATSHRBLMCYP3A4TDP1
SCHEMBL29252925 0.98 LMNA (0.45) LMNATSHRBLMCYP3A4TDP1
SCHEMBL29252816 0.98 LMNA (0.45) LMNATSHRBLMCYP3A4TDP1
SCHEMBL29252331 0.98 LMNA (0.45) LMNATSHRBLMCYP3A4TDP1
SCHEMBL29252235 0.98 LMNA (0.45) LMNATSHRBLMCYP3A4TDP1
SCHEMBL29251590 0.98 LMNA (0.45) LMNATSHRBLMCYP3A4TDP1

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