SCHEMBL19232133

SCHEMBL19232133

CC(N)(N)CCCC[C@H](N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.55
ARG2 P78540 4/20 0.50
ARG1 P05089 3/20 0.50
NOS2 P35228 6/20 0.49
NOS1 P29475 4/20 0.49
NOS3 P29474 3/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
BLM P54132 1/20 0.47
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
CYP2C19 P33261 2/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GLA P06280 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL21861898 0.96 GSR (0.54) GSRARG2ARG1NOS2NOS1
SCHEMBL17431026 0.86 GSR (0.57) GSRARG2ARG1NOS2NOS1
SCHEMBL15222427 0.86 GSR (0.57) GSRARG2ARG1NOS2NOS1
SCHEMBL19232136 0.85 KIF11 (0.48) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL5828956 0.83 GSR (0.54) GSRARG2ARG1NOS2NOS1
SCHEMBL3472931 0.83 GSR (0.54) GSRARG2ARG1NOS2NOS1
Hydrochloric Acid SCHEMBL15372840 0.82 GSR (0.52) GSRARG2ARG1NOS2NOS1
Hydrochloric Acid SCHEMBL7130280 0.82 GSR (0.52) GSRARG2ARG1NOS2NOS1
Hydrochloric Acid SCHEMBL15372842 0.82 GSR (0.52) GSRARG2ARG1NOS2NOS1
SCHEMBL10052913 0.81 GSR (0.56) GSRARG2ARG1NOS2NOS1

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-2017136581-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATE MEDITOPE BIOSCIENCES, INC. (US) 2017-08-10 WO disclosed