SCHEMBL7975778

SCHEMBL7975778

CC(=O)C1=NN(c2ccc(C(=O)O)c(Cl)c2)C(=O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.58
KDM4E B2RXH2 4/20 0.58
TDP1 Q9NUW8 4/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
CASP6 P55212 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
KMT2A Q03164 6/20 0.54
MAPT P10636 5/20 0.52
GAA P10253 5/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.52
MYC P01106 1/20 0.48
NR4A1 P22736 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 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
SCHEMBL14991194 0.73 KDM4E (0.67) POLBKDM4ETDP1L3MBTL1CASP6
SCHEMBL20178520 0.71 POLB (0.72) POLBKDM4ETDP1L3MBTL1CASP6
SCHEMBL7985141 0.71 MYC (0.54) POLBKDM4ETDP1L3MBTL1CASP6
SCHEMBL12438825 0.70 POLB (0.50) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL12384188 0.70 POLB (0.76) POLBKDM4ETDP1L3MBTL1CASP6
SCHEMBL7989137 0.70 POLB (0.41) POLBKDM4ETDP1L3MBTL1CASP6
SCHEMBL2271533 0.70 KDM4E (0.62) POLBKDM4ETDP1L3MBTL1CASP6
SCHEMBL7989098 0.69 CA1 (0.57) POLBKDM4EMAPTGAANPC1
SCHEMBL15304484 0.68 MAPT (0.69) POLBKDM4EL3MBTL1KMT2AMAPT
SCHEMBL9812745 0.68 POLB (0.43) POLBKDM4ETDP1L3MBTL1CASP6

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
US-6271373-B1 PYRIDINE DERIVATIVE FORMED BY REACTING A PYRAZINE DERIVATIVE WITH FECL3 AND ACETIC ACID VIROPHARMA INCORPORATED 2001-08-07 US claimed
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