SCHEMBL20624673

SCHEMBL20624673

CC(C)=CCC/C(C)=C/CCC(C)=CCN

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
SQLE Q14534 7/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 2/20 0.64
ALDH1A1 P00352 1/20 0.64
UGT1A1 P22309 1/20 0.64
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52

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
SCHEMBL2769830 1.00 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL932896 1.00 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL30531903 1.00 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL11892318 1.00 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL21260659 1.00 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL30531904 1.00 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL2495183 1.00 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL2495184 1.00 KMT2A (0.73) KMT2ASQLEMAPTMEN1CYP3A4
Hydrochloric Acid SCHEMBL8940577 0.98 KMT2A (0.70) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL352058 0.98 KMT2A (0.68) KMT2ASQLEMAPTMEN1CYP3A4

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-2019001935-A1 AMINOGLYCOSIDE DERIVATIVES AND NANO-ASSEMBLIES THEREOF, INCLUDING THOSE WITH QUORUM SENSING INHIBITORY FUNCTION Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-01-03 WO disclosed