SCHEMBL2741012

SCHEMBL2741012

CC(C)=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.53
▸ CRHR2 Q13324 2/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ NHERF1 O14745 1/20 0.48
▸ MEN1 O00255 9/20 0.48
▸ KMT2A Q03164 9/20 0.48
▸ HTT P42858 6/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ PSMD14 O00487 2/20 0.48
▸ MAPT P10636 9/20 0.46
▸ LMNA P02545 3/20 0.46
▸ SLC5A1 P13866 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ MCL1 Q07820 3/20 0.46
▸ GAA P10253 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45

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
SCHEMBL2741004 0.85 CRHBP (0.51) CRHBPCRHR2KEAP1NFE2L2NHERF1
SCHEMBL2740989 0.82 MEN1 (0.52) CRHBPCRHR2KEAP1NFE2L2NHERF1
SCHEMBL2740998 0.82 CRHBP (0.60) CRHBPCRHR2NHERF1MEN1KMT2A
SCHEMBL13128981 0.81 ALDH1A1 (0.45) MEN1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL15647549 0.80 NFKBIA (0.61) CRHBPCRHR2NHERF1MEN1KMT2A
SCHEMBL2740957 0.80 MEN1 (0.50) CRHBPCRHR2KEAP1NFE2L2NHERF1
SCHEMBL2740990 0.80 L3MBTL1 (0.57) CRHBPCRHR2MEN1KMT2AHTT
SCHEMBL2740994 0.79 L3MBTL1 (0.59) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL2741006 0.79 MEN1 (0.55) CRHBPCRHR2NHERF1MEN1KMT2A
SCHEMBL2741007 0.78 MEN1 (0.58) CRHBPCRHR2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088772-B2 Sulfonamides and their use as a medicament THE GENETICS COMPANY, INC. (CH) 2012-01-03 — — US disclosed
US-8088772-B2 Sulfonamides and their use as a medicament THE GENETICS COMPANY, INC. (CH) 2012-01-03 — — US disclosed
EP-1932830-A1 Sulfonamides and their use as a medicament The Genetics Company, Inc. (CH) 2008-06-18 — — EP disclosed
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