SCHEMBL29515643

SCHEMBL29515643

[N-]=[N+]=C(C(=O)c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 8/20 0.48
LMNA P02545 2/20 0.42
AKR1C3 P42330 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
HTT P42858 1/20 0.41
AKR1C1 Q04828 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL382665 1.00 KAT6A (0.48) KAT6ALMNAAKR1C3CES2CES1
SCHEMBL9010800 0.86 CES2 (0.53) KAT6ALMNAAKR1C3CES2CES1
SCHEMBL1604082 0.85 KAT6A (0.42) KAT6ALMNACES2CES1ALDH1A1
SCHEMBL546386 0.83 CES2 (0.45) KAT6ALMNACES2CES1ALDH1A1
SCHEMBL5882174 0.82 KAT6A (0.46) KAT6ACES2CES1
SCHEMBL384240 0.81 ALDH1A1 (0.50) KAT6ALMNACES2CES1ALDH1A1
SCHEMBL5881935 0.80 PTPN11 (0.46) KAT6A
SCHEMBL5843262 0.80 S1PR3 (0.41) KAT6ACES2CES1
SCHEMBL384364 0.79 CES2 (0.51) LMNACES2CES1ALDH1A1HTT
SCHEMBL27616937 0.78 CES2 (0.44) CES2CES1ALDH1A1HTTF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4348352-A1 METHOD FOR USING COMPOSITION COMPRISING ORGANIC ACID COMPOUND, LITHOGRAPHY COMPOSITION COMPRISING ORGANIC ACID COMPOUND, AND METHOD FOR MANUFACTURING RESIST PATTERN Merck Patent GmbH (DE) 2024-04-10 EP disclosed
EP-4189486-A1 METHOD FOR USING COMPOSITION COMPRISING CARBOXYLIC ACID ESTER, LITHOGRAPHY COMPOSITION COMPRISING CARBOXYLIC ACID ESTER, AND METHOD FOR MANUFACTURING RESIST PATTERN Merck Patent GmbH (DE) 2023-06-07 EP disclosed
WO-2022253787-A1 METHOD FOR USING COMPOSITION COMPRISING ORGANIC ACID COMPOUND, LITHOGRAPHY COMPOSITION COMPRISING ORGANIC ACID COMPOUND, AND METHOD FOR MANUFACTURING RESIST PATTERN MERCK PATENT GMBH (DE) 2022-12-08 WO disclosed
WO-2022023230-A1 METHOD FOR USING COMPOSITION COMPRISING CARBOXYLIC ACID ESTER, LITHOGRAPHY COMPOSITION COMPRISING CARBOXYLIC ACID ESTER, AND METHOD FOR MANUFACTURING RESIST PATTERN MERCK PATENT GMBH (DE) 2022-02-03 WO disclosed