SCHEMBL2405485

SCHEMBL2405485

O=C1NC(=O)c2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc1c23

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NT5E P21589 2/20 0.44
▸ PARG Q86W56 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PARP1 P09874 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CASP6 P55212 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ ING2 Q9H160 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34

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
SCHEMBL15528926 0.87 MEN1 (0.68) MEN1KMT2APKMSMN1; SMN2PARG
SCHEMBL2380693 0.81 NT5E (0.40) MEN1KMT2APKMSMN1; SMN2NT5E
SCHEMBL170998 0.77 ALDH1A1 (0.39) MEN1KMT2APKMSMN1; SMN2NT5E
SCHEMBL6390858 0.77 NT5E (0.44) SMN1; SMN2NT5EALDH1A1CASP6CYP2C9
SCHEMBL27426620 0.76 CASP6 (0.38) MEN1KMT2APKMSMN1; SMN2NT5E
SCHEMBL28120681 0.75 MEN1 (0.39) MEN1KMT2APKMSMN1; SMN2PARG
SCHEMBL2896434 0.74 PPOX (0.48) MEN1KMT2AALDH1A1CASP6HSD17B10
SCHEMBL3827398 0.70 ALDH1A1 (0.55) MEN1KMT2APKMSMN1; SMN2NT5E
SCHEMBL6393946 0.69 NT5E (0.38) MEN1KMT2ASMN1; SMN2NT5EALDH1A1
SCHEMBL564558 0.69 NT5E (0.74) NT5EALDH1A1CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110028253-A A kind of high-performance cement and preparation method thereof 梁剑 2019-07-19 — — CN claimed
US-20200347114-A1 MHC Peptide Complexes and Uses Thereof in Infectious Diseases AGILENT TECHNOLOGIES, INC. 2020-11-05 — — US disclosed
US-10722562-B2 Combinatorial analysis and repair IMMUDEX APS (DK) 2020-07-28 — — US disclosed
CN-110028253-A A kind of high-performance cement and preparation method thereof 梁剑 2019-07-19 — — CN disclosed
US-10336808-B2 MHC peptide complexes and uses thereof in infectious diseases DAKO DENMARK A/S (DK) 2019-07-02 — — US disclosed
US-20120264161-A1 MHC PEPTIDE COMPLEXES AND USES THEREOF IN INFECTIOUS DISEASES DAKO DENMARK A/S (DK) 2012-10-18 — — US disclosed
US-8268964-B2 MHC peptide complexes and uses thereof in infectious diseases DAKO DENMARK A/S (DK) 2012-09-18 — — US disclosed
US-20110212090-A1 Combinatorial Analysis and Repair DAKO DENMARK A/S 2011-09-01 — — US disclosed
US-20100226854-A1 MHC Peptide Complexes and Uses Thereof in Infectious Diseases DAKO DENMARK A/S (DK) 2010-09-09 — — US disclosed
EP-0763197-A1 METHOD AND APPARATUS FOR AUTOMATED CARBOHYDRATE MAPPING AND SEQUENCING PERKIN-ELMER CORPORATION (US) 1997-03-19 — — EP disclosed
WO-1995033989-A1 METHOD AND APPARATUS FOR AUTOMATED CARBOHYDRATE MAPPING AND SEQUENCING PERKIN-ELMER CORPORATION (US) 1995-12-14 — — WO disclosed
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