SCHEMBL4749637

SCHEMBL4749637

NC(CC[C@H](N)[C]=O)c1ncc([N+](=O)[O-])cn1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
MAPT P10636 4/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 2/20 0.31
IDO1 P14902 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL29559792 0.77 LOXL2 (0.37) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL2625493 0.65 ALDH1A1 (0.42) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL26409 0.62 LOXL2 (0.53) LMNAIDO1CYP1A2CYP2C19ALDH1A1
SCHEMBL26408 0.62 LOXL2 (0.53) LMNAIDO1CYP1A2CYP2C19ALDH1A1
SCHEMBL2268068 0.62 LOXL2 (0.53) LMNAIDO1CYP1A2CYP2C19ALDH1A1
SCHEMBL438963 0.62 MAPT (0.64) ADRA2AADRA2BADRA2CMAPTMEN1
SCHEMBL1581001 0.60 ADRA2A (0.44) ADRA2AADRA2BADRA2CMAPTNPC1
Hydrochloric Acid SCHEMBL7848303 0.59 ADRA2A (0.45) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL10522155 0.58 TSHR (0.54) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL10522164 0.58 TSHR (0.54) MAPTMEN1KMT2ALMNACYP1A2

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-2008138916-A1 ISOLATION OF PEPTIDES AND PROTEOMICS PLATFORM PRONOTA N.V. (BE) 2008-11-20 WO disclosed