SCHEMBL23129294

SCHEMBL23129294

C=C(C)CNC=CCCC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL23809906 0.81
SCHEMBL12501477 0.74 ALDH1A1 (0.41) MEN1CYP3A4KMT2A
SCHEMBL12501476 0.74 ALDH1A1 (0.41) MEN1CYP3A4KMT2A
SCHEMBL1485729 0.71
SCHEMBL1485725 0.71
SCHEMBL283632 0.70 TSHR (0.35)
SCHEMBL283633 0.70 TSHR (0.35)
SCHEMBL21346610 0.70
SCHEMBL386599 0.69
Hydrochloric Acid SCHEMBL28452701 0.69

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
EP-3428287-B1 CONFORMATIONALLY-PREORGANIZED, MINIPEG-CONTAINING GAMMA-PEPTIDE NUCLEIC ACIDS UNIV CARNEGIE MELLON (US) 2021-03-24 EP disclosed