SCHEMBL4359815

SCHEMBL4359815

O=C(O)CCCCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
KAT2B Q92831 2/20 0.62
HPGD P15428 3/20 0.55
LMNA P02545 2/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
THRB P10828 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 2/20 0.50
HCAR3 P49019 1/20 0.49
PRSS1 P07477 1/20 0.48
SIRT5 Q9NXA8 1/20 0.47

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
SCHEMBL5026709 0.88 KAT2B (0.60) MAPTKMT2AMEN1TDP1KAT2B
SCHEMBL6198359 0.88 KAT2B (0.78) MAPTKMT2AMEN1TDP1KAT2B
SCHEMBL8720672 0.88 KAT2B (0.78) MAPTKMT2AMEN1TDP1KAT2B
SCHEMBL8868809 0.88 HPGD (0.58) MAPTKMT2AMEN1TDP1KAT2B
SCHEMBL6200169 0.86 KAT2B (0.81) MAPTKMT2AMEN1TDP1KAT2B
SCHEMBL5668940 0.84 RAB9A (0.55) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL7170020 0.83 KAT2B (0.81) MAPTKMT2AMEN1TDP1KAT2B
SCHEMBL37830 0.82 MAPT (0.63) MAPTKMT2AMEN1TDP1HPGD
SCHEMBL29928397 0.82 MAPT (0.63) MAPTKMT2AMEN1TDP1HPGD
SCHEMBL4295085 0.82 MAPT (0.63) MAPTKMT2AMEN1TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009071444-A9 NOVEL IMAGING METHOD GE HEALTHCARE LIMITED (GB) 2009-10-01 WO disclosed