SCHEMBL7777718

SCHEMBL7777718

COC(=O)c1c(S(=O)(=O)Cl)ccc([N+](=O)[O-])c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.49
▸ TDP1 Q9NUW8 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ PLIN1 O60240 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ KCNK2 O95069 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ GSR P00390 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL8759762 0.87 VCAM1 (0.50) VCAM1TDP1KMT2ASMN1; SMN2MAPT
SCHEMBL4815932 0.82 SLC10A6 (0.47) VCAM1TDP1KMT2ASMN1; SMN2MAPT
SCHEMBL30305428 0.82 SLC10A6 (0.47) VCAM1TDP1KMT2ASMN1; SMN2MAPT
SCHEMBL3710523 0.80 KMT2A (0.52) VCAM1TDP1KMT2ASMN1; SMN2MAPT
SCHEMBL1584481 0.79 TSHR (0.46) VCAM1TDP1KMT2ASMN1; SMN2MAPT
SCHEMBL27750330 0.78 TSHR (0.49) VCAM1TDP1KMT2ASMN1; SMN2MAPT
SCHEMBL29700159 0.77 SMN1; SMN2 (0.43) VCAM1TDP1KMT2ASMN1; SMN2MAPT
SCHEMBL13520113 0.77 TDP1 (0.50) TDP1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL5310060 0.77 KMT2A (0.47) VCAM1TDP1KMT2ASMN1; SMN2MAPT
SCHEMBL31305226 0.77 TDP1 (0.50) TDP1KMT2ASMN1; SMN2MAPTTSHR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1129587-C Saccharin deriv. BASF AG (DE) 2003-12-03 — — CN disclosed
CN-1359899-A Saccharin deriv. BASF AG (DE) 2002-07-24 — — CN disclosed
EP-0775124-B1 HERBICIDAL SACCHARIN CARBOXYLIC ACID DERIVATIVES AND METHOD FOR THEIR PREPARATION BASF AG (DE) 2001-09-19 — — EP disclosed
EP-0775125-B1 SACCHARINE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AG (DE) 2000-12-27 — — EP disclosed
CN-1058006-C Saccharin derivatives BASF AG (DE) 2000-11-01 — — CN disclosed
CN-1058007-C Saccharine derivatives BASF AG (DE) 2000-11-01 — — CN disclosed
US-5863864-A REACTING CORRESPONDING BROMO- OR IODO-SUBSTITUTED SACCHARIN DERIVATIVES IN THE PRESENCE OF A PALLADIUM, NICKEL, COBALT OR RHODIUM TRANSITION METAL CATALYST AND OF A BASE WITH CARBON MONOXIDE AND WATER OR A C1-C6 ALCOHOL BASF AKTIENGESELLSCHAFT (DE) 1999-01-26 — — US disclosed
EP-0775123-B1 SACCHARIN DERIVATIVES BASF AG (DE) 1998-09-30 — — EP disclosed
US-5744425-A POSTEMERGENCE, PREEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-28 — — US disclosed
US-5723415-A AGRICULTURAL HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-03-03 — — US disclosed
EP-0775137-A1 SACCHARINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-05-28 — — EP disclosed
EP-0775136-A1 5-HYDROXYPYRAZOL-4-YL-CARBONYL-SUBSTITUTED SACCHARIN DERIVATIVES WITH HERBICIDAL PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 1997-05-28 — — EP disclosed
EP-0775123-A2 SACCHARIN DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-05-28 — — EP disclosed
EP-0775124-A1 HERBICIDAL SACCHARIN CARBOXYLIC ACID DERIVATIVES AND METHOD FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1997-05-28 — — EP disclosed
EP-0775125-A1 SACCHARINE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-05-28 — — EP disclosed
WO-1996005198-A1 SACCHARINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 — — WO disclosed
WO-1996005184-A1 HERBICIDAL SACCHARIN CARBOXYLIC ACID DERIVATIVES AND METHOD FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 — — WO disclosed
WO-1996005183-A1 SACCHARINE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 — — WO disclosed
WO-1996005197-A1 5-HYDROXYPYRAZOL-4-YL-CARBONYL-SUBSTITUTED SACCHARIN DERIVATIVES WITH HERBICIDAL PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 — — WO disclosed
WO-1996005182-A2 SACCHARIN DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 — — WO disclosed
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