SCHEMBL17340207

SCHEMBL17340207

C[C@H](N)C(=O)NC1[C@@H](CO)O[C@@H](n2cnc3c(N(C)C)ncnc32)[C@H]1O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 12/20 0.77
ANPEP P15144 10/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
TP53 P04637 2/20 0.72
CYP3A4 P08684 2/20 0.72
LMNA P02545 1/20 0.72
HIF1A Q16665 1/20 0.72
HTT P42858 1/20 0.71
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
PAX8 Q06710 1/20 0.71

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
SCHEMBL17832060 0.91 NPEPPS (0.79) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL29711077 0.91 NPEPPS (0.79) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL17832061 0.90 NPEPPS (0.77) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL17340204 0.90 NPEPPS (0.77) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL29914556 0.88 NPEPPS (0.78) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL14945535 0.88 NPEPPS (0.75) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL14945549 0.88 NPEPPS (0.75) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL14945567 0.88 NPEPPS (0.75) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL16312111 0.88 ADORA3 (0.64) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL14945540 0.87 NPEPPS (0.73) 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
US-9212381-B2 Methods and compositions for labeling polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-15 US disclosed