SCHEMBL6971595

SCHEMBL6971595

COc1ccc(NN=c2c(=O)nnc2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
GAA P10253 6/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 5/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 4/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6981052 0.80 ALDH1A1 (0.45) MAPTGAAALDH1A1RAB9ANPC1
SCHEMBL8856666 0.77 SENP6 (0.61) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL8856799 0.74 SENP6 (0.48) MAPTGAAALDH1A1RAB9ANPC1
SCHEMBL8856796 0.74 SENP6 (0.48) MAPTGAAALDH1A1RAB9ANPC1
SCHEMBL2776448 0.73 MAPT (0.58) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL6971597 0.72 GAA (0.53) MAPTGAAALDH1A1RAB9ANPC1
SCHEMBL924770 0.69 NR4A1 (0.46) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL11209426 0.69 ALDH1A1 (1.00) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL8793719 0.69 ALDH1A1 (0.94) MAPTGAAALDH1A1RAB9AHTT
SCHEMBL15078965 0.67 MAPT (0.56) MAPTGAAALDH1A1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214813-B1 AZOPYRAZOLES KINETEK PHARMACEUTICALS, INC. (CA) 2001-04-10 US claimed
EP-1276723-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY Kinetek Pharmaceuticals, Inc. (CA) 2003-01-22 EP disclosed
US-6436915-B1 ANTIPROLIFERATIVE AND ANTITUMOR AGENTS AND ANGIOGENESIS INHIBITORS KINETEK PHARMACEUTICALS, INC. (CA) 2002-08-20 US disclosed
US-20020042501-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2002-04-11 US disclosed
WO-2001077080-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY KINETEK PHARMACEUTICALS, INC. (CA) 2001-10-18 WO disclosed
US-6214813-B1 AZOPYRAZOLES KINETEK PHARMACEUTICALS, INC. (CA) 2001-04-10 US disclosed