SCHEMBL7447014

SCHEMBL7447014

Cc1c([N+](=O)[O-])ccc(N)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.51
TSHR P16473 6/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CASP6 P55212 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL27468580 0.85 TSHR (0.46) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL11644545 0.84 LMNA (0.56) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL1585078 0.82 TDP1 (0.64) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL5310060 0.82 KMT2A (0.47) TDP1TSHRLMNAALDH1A1CYP3A4
SCHEMBL28842313 0.81 TDP1 (0.50) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL8364702 0.81 TSHR (0.53) TDP1TSHRL3MBTL1ALDH1A1CYP3A4
SCHEMBL787115 0.81 TSHR (0.62) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL7093885 0.81 TSHR (0.62) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL28308570 0.80 TSHR (0.53) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL23985860 0.79 TSHR (0.51) TDP1TSHRLMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0741715-B1 NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE STANFORD RES INST INT (US) 1998-08-26 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
US-5716905-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-02-10 US disclosed
US-5716906-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-02-10 US disclosed
EP-0775137-A1 SACCHARINE DERIVATIVES 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-0741715-A1 NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1996-11-13 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
WO-1995020581-A1 NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1995-08-03 WO disclosed
US-5428021-A Administering to inhibit serine proteases SRI INTERNATIONAL (US) 1995-06-27 US disclosed