SCHEMBL22965147

SCHEMBL22965147

CCCCCN/C(=N/C#N)NCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.45
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
EPHX1 P07099 4/20 0.35
DNM2 P50570 2/20 0.34

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
SCHEMBL21473536 0.95 DNM1 (0.42) DNM1THRATHRBEPHX1
SCHEMBL22942889 0.81 CA1 (0.32) DNM1
SCHEMBL21473540 0.81 DNM1 (0.33) DNM1
SCHEMBL1151570 0.80 EPHX1 (0.37) EPHX1
SCHEMBL25615703 0.80 EPHX1 (0.42) EPHX1
SCHEMBL14996213 0.80 KDM1A (0.40) EPHX1
SCHEMBL10890980 0.79 CA1 (0.34)
SCHEMBL11484382 0.78 EPHX1 (0.42) EPHX1
SCHEMBL13631010 0.78 EPHX1 (0.42) EPHX1
SCHEMBL13617153 0.75 EPHX1 (0.38) DNM1EPHX1

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-2021026358-A1 COMPOSITIONS AND METHODS FOR ENHANCED DELIVERY OF AGENTS Moderna TX, Inc. (US) 2021-02-11 WO disclosed