SCHEMBL7583669

SCHEMBL7583669

CS(=O)(=O)[O-].O=[N+]([O-])c1cccc([I+]c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.53

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
MAOB known ✓ P27338 1/20 0.44
TSHR P16473 3/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
ACHE P22303 2/20 0.50
CA2 P00918 2/20 0.49
CA5A P35218 1/20 0.49
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.46
CA1 P00915 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL7583310 0.90 TSHR (0.50) TSHRLMNAKMT2AGAAHTT
SCHEMBL143162 0.89 TSHR (0.67) TSHRLMNAKMT2AGAAHTT
SCHEMBL29601516 0.89 TSHR (0.67) TSHRLMNAKMT2AGAAHTT
SCHEMBL31145718 0.87 TSHR (0.64) TSHRLMNAKMT2AGAAHTT
Bromide SCHEMBL31058252 0.87 TSHR (0.64) TSHRLMNAKMT2AGAAHTT
SCHEMBL8331382 0.85 TSHR (0.48) TSHRLMNAKMT2AGAAHTT
Sulfuric Acid SCHEMBL4556409 0.85 LMNA (0.48) TSHRLMNAKMT2AGAAHTT
Trifluoromethanesulfonic Acid SCHEMBL2902298 0.85 TSHR (0.48) TSHRLMNAKMT2AGAAHTT
SCHEMBL2898432 0.85 CYP1A2 (0.53) TSHRLMNAKMT2AGAAHTT
SCHEMBL7576801 0.85 TSHR (0.44) TSHRLMNAKMT2AGAAHTT

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
US-20020196896-A1 Exposure method, exposure apparatus, X-ray mask, semiconductor device and microstructure MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2002-12-26 US disclosed
EP-1193553-A2 Exposure method, exposure apparatus, x-ray mask, semiconductor device and microstructure MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2002-04-03 EP disclosed