SCHEMBL7030347

SCHEMBL7030347

CS(=O)(=O)Oc1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.57
TSHR P16473 2/20 0.56
TTR P02766 1/20 0.52
HCAR3 P49019 5/20 0.49
LMNA P02545 1/20 0.49
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL7031271 0.86 VCAM1 (0.63) LMNAMAPTHPGDPOLBALDH1A1
SCHEMBL13167860 0.82 TSHR (0.54) CASP6TSHRTTRHCAR3MYC
SCHEMBL29753668 0.81 TTR (0.64) CASP6TSHRTTRHCAR3LMNA
SCHEMBL223878 0.81 TTR (0.64) CASP6TSHRTTRHCAR3LMNA
SCHEMBL14164863 0.80 CA12 (0.73) TSHRTTRLMNAMAPTHPGD
SCHEMBL5691015 0.79 TSHR (0.63) CASP6TSHRTTRHCAR3LMNA
SCHEMBL6565752 0.78 CA12 (0.71) TSHRTTRLMNAMAPTHPGD
SCHEMBL30658490 0.78 EP300 (0.61) CASP6TSHRTTRHCAR3LMNA
SCHEMBL3537490 0.78 MAPT (0.62) CASP6TSHRHCAR3LMNAMYC
SCHEMBL528040 0.78 EP300 (0.61) CASP6TSHRTTRHCAR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816348-B1 Heterocyclic n-acetonylbenzamides and their use as fungicides DOW AGROSCIENCES LLC (US) 2003-02-05 EP disclosed
EP-1229028-A1 Heterocyclic N-acetonylbenzamides and their use as fungicides Dow AgroSciences LLC (US) 2002-08-07 EP disclosed
EP-1229027-A1 Heterocyclic N-acetonylbenzamides and their use as fungicides Dow AgroSciences LLC (US) 2002-08-07 EP disclosed
EP-1229037-A1 Heterocyclic N-acetonylbenzamides and their use as fungicides Dow AgroSciences LLC (US) 2002-08-07 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5811427-A FUNGICIDES; CONTROLLING PHYTOPATHOGENIC FUNGI PARTICULARLY OF THE CLASS OOMYCETES ROHM AND HAAS COMPANY (US) 1998-09-22 US disclosed
EP-0816348-A1 Heterocyclic n-acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed