SCHEMBL8668943

SCHEMBL8668943

O=C(Cc1ccccc1)NN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
PKM P14618 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
EPHX2 P34913 1/20 0.46
GLS O94925 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
NR4A1 P22736 1/20 0.44
KCNQ2 O43526 1/20 0.44

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
Hydrochloric Acid SCHEMBL5849107 0.98 KMT2A (0.53) KMT2AMEN1L3MBTL1SMN1; SMN2GAA
SCHEMBL7701320 0.85 KMT2A (0.58) KMT2AMEN1L3MBTL1SMN1; SMN2GAA
SCHEMBL27696449 0.83 HTT (0.57) KMT2AMEN1L3MBTL1SMN1; SMN2GAA
SCHEMBL7370715 0.82 KMT2A (0.42) KMT2AL3MBTL1GAAPKMALDH1A1
SCHEMBL10629236 0.82 GAA (0.55) KMT2AMEN1L3MBTL1SMN1; SMN2GAA
SCHEMBL6790329 0.81 SMN1; SMN2 (0.59) KMT2AMEN1L3MBTL1SMN1; SMN2GAA
SCHEMBL8608392 0.81 KMT2A (0.54) KMT2AMEN1L3MBTL1SMN1; SMN2GAA
SCHEMBL7412108 0.78 POLB (0.55) KMT2AMEN1L3MBTL1GAAHDAC8
SCHEMBL5115089 0.77 GAA (0.52) SMN1; SMN2GAAALDH1A1
SCHEMBL92506 0.76 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2GAAALDH1A1SIGMAR1

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-0880512-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1998-12-02 EP disclosed
WO-1997028141-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed