SCHEMBL7985141

SCHEMBL7985141

CC1=NN(c2ccc(C(=O)O)c(Cl)c2)C(=O)C(=O)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.54
NR4A1 P22736 1/20 0.54
CTSB P07858 2/20 0.49
KLKB1 P03952 1/20 0.49
TDP1 Q9NUW8 4/20 0.48
POLB P06746 4/20 0.48
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
CASP6 P55212 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
PTPN1 P18031 1/20 0.48
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 2/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
SIRT5 Q9NXA8 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
SCHEMBL8523635 0.89 TDP1 (0.61) CTSBKLKB1TDP1POLBKDM4E
SCHEMBL24939851 0.74 MYC (0.62) MYCNR4A1CTSBTDP1POLB
SCHEMBL7975778 0.71 POLB (0.58) MYCNR4A1CTSBKLKB1TDP1
SCHEMBL2187837 0.71 MYC (0.71) MYCNR4A1CTSBKLKB1TDP1
SCHEMBL13856186 0.70 MYC (1.00) MYCNR4A1CTSBKLKB1TDP1
SCHEMBL7985913 0.70 KAT8 (0.55) POLBKDM4EL3MBTL1KMT2AMEN1
SCHEMBL6731500 0.70 AMY1A (0.55) TDP1L3MBTL1KMT2AMEN1MAPT
SCHEMBL24939847 0.69 MYC (0.56) MYCNR4A1CTSBKLKB1TDP1
SCHEMBL3811575 0.68 MYC (0.57) MYCNR4A1CTSBTDP1L3MBTL1
SCHEMBL14130157 0.68 MYC (0.61) MYCNR4A1CTSBKLKB1TDP1

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 4 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
US-5935957-A PYRIDAZINE DERIVATIVES VIROPHARMA INCORPORATED (US) 1999-08-10 US disclosed
US-5821243-A 3,4,5-TRIOXO-2H,3H,4H,5H-PYRIDAZINES; TRANSCRIPTASE INHIBITORS; NONTOXIC VIROPHARMA INCORPORATED (US) 1998-10-13 US disclosed