SCHEMBL29049262

SCHEMBL29049262

CC[N+](CC)(CC)c1ccccc1.CS(=O)(=O)O

nearest known ligand 0.40

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
CHRM1 known ✓ P11229 1/20 0.37
PSIP1 O75475 1/20 0.40
KEAP1 Q14145 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
GFER P55789 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD11B1 P28845 1/20 0.36
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
Sulfuric Acid SCHEMBL1508282 0.90 PSIP1 (0.39) PSIP1TSHRSMN1; SMN2CHRM4CHRM1
SCHEMBL21957777 0.88 PSIP1 (0.40) PSIP1KEAP1KMT2APTGS2CA2
Sulfuric Acid SCHEMBL31286303 0.85 PSIP1 (0.41) PSIP1KMT2ACHRM4CHRM1CHRM3
Bicarbonate SCHEMBL21957730 0.85 CHRM1 (0.43) TSHRSMN1; SMN2CHRM4CHRM1CHRM3
SCHEMBL10968124 0.84 NAAA (0.44) SMN1; SMN2MEN1KMT2AALDH1A1PTGS2
SCHEMBL124830 0.84 APOBEC3A (0.46) PSIP1TSHRSMN1; SMN2CHRM4CHRM1
Malonic Acid SCHEMBL21957769 0.83 AKR1B1 (0.41) TSHRSMN1; SMN2MEN1KMT2ACHRM4
SCHEMBL332018 0.83 PSIP1 (0.45) PSIP1KEAP1TSHRSMN1; SMN2MEN1
Oxalic Acid SCHEMBL1052304 0.83 CHRM1 (0.42) TSHRSMN1; SMN2CHRM4CHRM1CHRM3
Formaldehyde SCHEMBL11417705 0.82 APOBEC3A (0.40) PSIP1TSHRSMN1; SMN2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118620392-A Composition for forming silicon-containing resist underlayer film and pattern forming method 信越化学工业株式会社 2024-09-10 CN disclosed
CN-114660896-B Composition for forming silicon-containing resist underlayer film, pattern forming method, and silicon compound 信越化学工业株式会社 2024-06-11 CN disclosed
CN-116804825-A Composition for forming silicon-containing metal hard mask and pattern forming method 信越化学工业株式会社 2023-09-26 CN disclosed
CN-111208710-B Iodine-containing thermosetting silicon-containing material, resist underlayer film forming composition for extreme ultraviolet lithography containing the same, and pattern forming method 信越化学工业株式会社 2023-08-22 CN disclosed
CN-111458980-B Composition for forming underlayer film of silicon-containing resist and method for forming pattern 信越化学工业株式会社 2023-08-11 CN disclosed