SCHEMBL7904683

SCHEMBL7904683

CC(=O)Nc1ccc(C(=N)N)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
HDAC1 Q13547 2/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
NPC1 O15118 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
RAB9A P51151 1/20 0.44
TNNC1 P63316 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL7902882 0.83 ALDH1A1 (0.51) TDP1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL973116 0.83 TDP1 (0.54) TDP1HDAC1ALDH1A1SMN1; SMN2POLB
SCHEMBL17244480 0.82 HDAC1 (0.58) TDP1HDAC1ALDH1A1SMN1; SMN2POLB
SCHEMBL11171029 0.80 SMN1; SMN2 (0.69) TDP1HDAC1ALDH1A1SMN1; SMN2POLB
SCHEMBL7509092 0.78 TDP1 (0.60) TDP1HDAC1ALDH1A1SMN1; SMN2HTT
SCHEMBL30442658 0.78 TDP1 (0.60) TDP1HDAC1ALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL7516181 0.77 TDP1 (0.58) TDP1HDAC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4055616 0.75 TDP1 (0.57) TDP1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL30483162 0.75 TDP1 (0.57) TDP1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL2081736 0.75 TDP1 (0.57) TDP1ALDH1A1SMN1; SMN2POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed