SCHEMBL5032018

SCHEMBL5032018

COc1c(N)ccnc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ATM Q13315 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAOA P21397 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPY1R P25929 1/20 0.34
CYP3A4 P08684 1/20 0.33
TXNRD1 Q16881 1/20 0.33

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
SCHEMBL7017705 0.81 KMT2A (0.46) HTTTDP1KMT2AMEN1ATM
SCHEMBL5908245 0.81 KMT2A (0.39) HTTTDP1KMT2AMEN1ATM
SCHEMBL21383944 0.79 KMT2A (0.38) HTTTDP1KMT2AMEN1ATM
SCHEMBL29947327 0.79 KMT2A (0.38) HTTTDP1KMT2AMEN1ATM
SCHEMBL7018253 0.77 ALDH1A1 (0.44) HTTTDP1KMT2AMEN1ATM
SCHEMBL7010124 0.77 GAA (0.38) HTTKMT2AMEN1ATMNPC1
SCHEMBL8385465 0.77 CYP3A4 (0.40) HTTTDP1KMT2AMEN1NOS3
SCHEMBL8141010 0.76 HTT (0.37) HTTTDP1KMT2AMEN1ALDH1A1
SCHEMBL29561608 0.76 KMT2A (0.36) HTTKMT2AMEN1ATMNPC1
SCHEMBL8561095 0.74 MEN1 (0.42) HTTTDP1KMT2AMEN1SMN1; SMN2

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-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed