SCHEMBL7986540

SCHEMBL7986540

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.44
MAPT P10636 5/20 0.41
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 6/20 0.40
APP P05067 5/20 0.39
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 4/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
BLM P54132 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL22670400 0.72 KMT2A (0.60) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL7985908 0.69 MAPT (0.35) POLBMAPTKDM4EGAAAPP
SCHEMBL7974687 0.68 ROCK2 (0.47) POLBCYP3A4
SCHEMBL12892198 0.67 SMN1; SMN2 (0.56) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL2028396 0.66 ADH5 (0.32)
SCHEMBL9812745 0.66 POLB (0.43) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL12384188 0.66 POLB (0.76) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL6074332 0.65 ACHE (0.33) POLBMAPT
SCHEMBL184092 0.65 DCUN1D1 (0.44) POLBMAPTNPC1RAB9AGAA
SCHEMBL7976721 0.65 POLB (0.46) POLBMAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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