SCHEMBL7985908

SCHEMBL7985908

CC1=NN(c2ccc(-c3nnn[nH]3)cc2)C(=O)C(=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
ALDH1A1 P00352 6/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 4/20 0.35
GAA P10253 2/20 0.35
KAT8 Q9H7Z6 7/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 5/20 0.32
MAPK1 P28482 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PKM P14618 1/20 0.32
AMY1A P0DUB6 1/20 0.32
APP P05067 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL184092 0.72 DCUN1D1 (0.44) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL6736416 0.70 KMT2A (0.49) MAPTALDH1A1KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL28614073 0.70 DCUN1D1 (0.43) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL6893249 0.70 DCUN1D1 (0.43) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL7991950 0.70 ALDH1A1 (0.33) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL2028396 0.70 ADH5 (0.32)
SCHEMBL7986767 0.68 PTGS2 (0.57) MAPTKMT2AMEN1KAT8L3MBTL1
SCHEMBL13411813 0.68 ADH5 (0.36)
SCHEMBL7985913 0.67 KAT8 (0.55) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL6731500 0.66 AMY1A (0.55) MAPTALDH1A1KMT2AMEN1L3MBTL1

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