SCHEMBL7989098

SCHEMBL7989098

CC(=O)C1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.57
CA2 P00918 11/20 0.57
CA9 Q16790 9/20 0.57
CA12 O43570 8/20 0.57
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PTGS2 P35354 5/20 0.45
GAA P10253 1/20 0.44
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 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
SCHEMBL2365087 0.80 CA1 (0.76) CA1CA2CA9CA12POLB
SCHEMBL22670400 0.77 KMT2A (0.60) CA1CA2CA9CA12POLB
SCHEMBL11682423 0.76 POLB (0.50) CA1CA2CA9CA12POLB
SCHEMBL9812745 0.76 POLB (0.43) CA1CA2CA9POLBMAPT
SCHEMBL12438825 0.76 POLB (0.50) CA2CA9CA12POLBMAPT
SCHEMBL5430471 0.76 CA1 (0.51) CA1CA2CA9CA12POLB
SCHEMBL14572652 0.75 GAA (0.70) CA1CA2CA9CA12MAPT
SCHEMBL1715679 0.74 POLB (0.68) CA1CA2CA9CA12POLB
SCHEMBL8003872 0.73 POLB (0.66) CA1CA2CA9CA12POLB
SCHEMBL3131292 0.73 POLB (0.66) CA1CA2CA9CA12POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271373-B1 PYRIDINE DERIVATIVE FORMED BY REACTING A PYRAZINE DERIVATIVE WITH FECL3 AND ACETIC ACID VIROPHARMA INCORPORATED 2001-08-07 US disclosed
US-6180628-B1 PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AND THEIR USE IN TREATING INFLUENZA INFECTION AND OTHER VIRAL DISEASES VIROPHARMA INCORPORATED 2001-01-30 US disclosed
EP-0920419-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA VIROPHARMA INC (US) 1999-10-06 EP disclosed
US-5935957-A PYRIDAZINE DERIVATIVES VIROPHARMA INCORPORATED (US) 1999-08-10 US disclosed
EP-0920419-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA Viropharma Incorporated (US) 1999-06-09 EP disclosed
US-5821243-A 3,4,5-TRIOXO-2H,3H,4H,5H-PYRIDAZINES; TRANSCRIPTASE INHIBITORS; NONTOXIC VIROPHARMA INCORPORATED (US) 1998-10-13 US disclosed
WO-1998003487-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA VIROPHARMA INCORPORATED (US) 1998-01-29 WO disclosed