SCHEMBL3720051

SCHEMBL3720051

N=C(NNC(N)=NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccc(-c2ccccc2N)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.48
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
NPC1 O15118 2/20 0.47
NQO2 P16083 2/20 0.43
MAPT P10636 9/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 4/20 0.41
POLB P06746 2/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
STAT1 P42224 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3712739 0.86 MAPT (0.56) KMT2AMEN1NPC1NQO2MAPT
SCHEMBL3714406 0.83 SLC9A1 (0.51) SLC9A1
SCHEMBL3709712 0.79 SLC9A1 (0.56) SLC9A1KMT2AMEN1NPC1MAPT
SCHEMBL3783985 0.79 SLC9A1 (0.55) SLC9A1NQO2ALDH1A1LMNA
SCHEMBL3711058 0.78 SLC9A1 (0.53) SLC9A1KMT2AMEN1MAPTALDH1A1
SCHEMBL3710904 0.78 SLC9A1 (0.56) SLC9A1NQO2ALDH1A1LMNAKDM4E
SCHEMBL3788349 0.76 SLC9A1 (0.55) SLC9A1NQO2MAPTALDH1A1LMNA
SCHEMBL3707944 0.75 SLC9A1 (0.52) SLC9A1KMT2AMEN1MAPTALDH1A1
SCHEMBL3720065 0.74 SLC9A1 (0.55) SLC9A1KMT2AMEN1NPC1NQO2
SCHEMBL3716474 0.74 SLC9A1 (0.55) SLC9A1KMT2AMEN1MAPTALDH1A1

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
WO-2010094090-A2 SYNUCLEINOPATHIES KATHOLLEKE UNIVERSITEIT LEUVEN (BE) 2010-08-26 WO claimed
WO-2010094090-A2 SYNUCLEINOPATHIES KATHOLLEKE UNIVERSITEIT LEUVEN (BE) 2010-08-26 WO disclosed