SCHEMBL8288907

SCHEMBL8288907

C#CC(=O)NCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
KAT2B Q92831 2/20 0.57
MAPT P10636 6/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 1/20 0.50
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL2977331 0.82 RAB9A (0.65) RAB9ANPC1KAT2BMAPTKMT2A
SCHEMBL2977328 0.82 RAB9A (0.65) RAB9ANPC1KAT2BMAPTKMT2A
SCHEMBL6198859 0.82 KAT2B (0.80) RAB9ANPC1KAT2BMAPTKMT2A
SCHEMBL7369567 0.81 NPC1 (0.64) RAB9ANPC1KAT2BMAPTKMT2A
SCHEMBL110446 0.76 KAT2B (0.66) RAB9ANPC1KAT2BMAPTKMT2A
SCHEMBL29390623 0.76 KAT2B (0.66) RAB9ANPC1KAT2BMAPTKMT2A
SCHEMBL7170020 0.75 KAT2B (0.81) RAB9ANPC1KAT2BMAPTKMT2A
SCHEMBL6200169 0.75 KAT2B (0.81) RAB9ANPC1KAT2BMAPTKMT2A
SCHEMBL5026709 0.75 KAT2B (0.60) RAB9ANPC1KAT2BMAPTKMT2A
SCHEMBL2982740 0.75 NPC1 (0.59) RAB9ANPC1KAT2BMAPTKMT2A

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-2005035500-A2 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-04-21 WO disclosed