SCHEMBL21391271

SCHEMBL21391271

COc1ccc(CC(NC(C)C)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 13/20 0.82
ANPEP P15144 9/20 0.82
SMN1; SMN2 Q16637 3/20 0.82
TP53 P04637 2/20 0.82
CYP3A4 P08684 2/20 0.82
LMNA P02545 1/20 0.82
HIF1A Q16665 1/20 0.82
HTT P42858 1/20 0.81
NPC1 O15118 1/20 0.81
RAB9A P51151 1/20 0.81
PAX8 Q06710 1/20 0.81

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
SCHEMBL23056386 1.00 NPEPPS (0.82) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL21418055 0.94 NPEPPS (0.83) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL23056423 0.94 NPEPPS (0.83) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL23056387 0.94 NPEPPS (0.83) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL18300018 0.92 NPEPPS (0.81) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL29703340 0.92 NPEPPS (0.83) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL20304578 0.92 NPEPPS (0.83) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL23056399 0.92 NPEPPS (0.69) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL20393654 0.91 NPEPPS (0.76) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
Puromycin SCHEMBL22348910 0.90 NPEPPS (1.00) NPEPPSANPEPSMN1; SMN2TP53CYP3A4

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-2019183270-A1 PUROMYCIN-BASED PROBES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-26 WO disclosed