SCHEMBL16638615

SCHEMBL16638615

NCCN(CCC(N)=O)CCN(CCN)CCC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.32
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10017445 0.97 LCK (0.33) LCKTDP1ALOX15BLMPMP22
SCHEMBL20998889 0.89 TDP1 (0.36) EYA2APPACETDP1ALOX15
SCHEMBL808456 0.89 TDP1 (0.36) EYA2APPACETDP1ALOX15
SCHEMBL899927 0.87 TDP1 (0.37) EYA2APPACETDP1ALOX15
SCHEMBL13154384 0.85 LCK (0.35) LCK
SCHEMBL16638613 0.85 CYP2C9 (0.34)
Ammonia Solution, Strong SCHEMBL10870270 0.84 ALOX15 (0.35) EYA2APPACETDP1ALOX15
Hydrochloric Acid SCHEMBL9711107 0.84 ALOX15 (0.35) EYA2APPACETDP1ALOX15
SCHEMBL13154489 0.83
SCHEMBL12482710 0.83 LMNA (0.39) LCKALOX15BLMKMT2A

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-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 US disclosed