SCHEMBL9937548

SCHEMBL9937548

Cc1ccc(S(=O)(=O)Oc2ncccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
KMT2A Q03164 5/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.44
VDR P11473 1/20 0.44
PAX8 Q06710 1/20 0.43
PTGS2 P35354 1/20 0.42
MITF O75030 1/20 0.41

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
SCHEMBL28054219 0.84 KEAP1 (0.46) KEAP1NFE2L2KMT2AGAAMEN1
SCHEMBL27541104 0.82 METAP2 (0.56) KMT2AALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL18322811 0.81 ALDH1A1 (0.44) KEAP1NFE2L2KMT2AGAAMEN1
SCHEMBL3100559 0.81 KEAP1 (0.51) KEAP1NFE2L2KMT2AGAAMEN1
SCHEMBL8881578 0.81 KMT2A (0.54) KEAP1NFE2L2KMT2AGAAMEN1
SCHEMBL6608554 0.76 ALDH1A1 (0.41) KEAP1NFE2L2KMT2AALDH1A1LMNA
SCHEMBL3263766 0.75 METAP2 (0.76) KEAP1NFE2L2KMT2AGAAMEN1
SCHEMBL6937180 0.74 KMT2A (0.55) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL4126086 0.74 MEN1 (0.60) KMT2AGAAMEN1ALDH1A1LMNA
SCHEMBL18179825 0.74 MEN1 (0.60) KMT2AGAAMEN1ALDH1A1LMNA

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-119462520-A Preparation method of substituted benzoate derivative 上海皓元医药股份有限公司 2025-02-18 CN claimed
CN-119462520-A Preparation method of substituted benzoate derivative 上海皓元医药股份有限公司 2025-02-18 CN disclosed
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 WO disclosed
EP-0270201-A1 A method for the preparation of a 2,4-diamino-3-oxy-pyrimidine derivative ORION-YHTYMÀ„ OY (FI) 1988-06-08 EP disclosed
US-4620002-A 2-pyrimidyl alkanesulfonates EASTMAN KODAK COMPANY (US) 1986-10-28 US disclosed