SCHEMBL10017445

SCHEMBL10017445

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.33
BLM P54132 3/20 0.31
KMT2A Q03164 2/20 0.31
ALOX15 P16050 2/20 0.31
PMP22 Q01453 2/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRR2 P28476 1/20 0.31

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
SCHEMBL16638615 0.97 LCK (0.32) LCKBLMKMT2AALOX15PMP22
SCHEMBL899927 0.89 TDP1 (0.37) BLMKMT2AALOX15PMP22LMNA
SCHEMBL16638613 0.87 CYP2C9 (0.34) HDAC6CYP2C9CYP2C19
SCHEMBL13154384 0.87 LCK (0.35) LCK
SCHEMBL808456 0.86 TDP1 (0.36) BLMKMT2AALOX15PMP22LMNA
Hydrochloric Acid SCHEMBL9711107 0.86 ALOX15 (0.35) BLMKMT2AALOX15PMP22LMNA
Ammonia Solution, Strong SCHEMBL10870270 0.86 ALOX15 (0.35) BLMKMT2AALOX15PMP22LMNA
SCHEMBL20998889 0.86 TDP1 (0.36) BLMKMT2AALOX15PMP22LMNA
SCHEMBL13154489 0.85
SCHEMBL12482710 0.85 LMNA (0.39) LCKBLMKMT2AALOX15LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012017118-A1 CARBON NANOHORNS COMPRISING DENDRIMERS ON THEIR SURFACE AS NON -VIRAL VECTORS FOR GENE THERAPY UNIVERSIDAD CASTILLA LA MANCHA (50%) (ES) 2012-02-09 WO disclosed
WO-2012017119-A2 NON-VIRAL VECTORS FOR GENE THERAPY UNIVERSIDAD CASTILLA LA MANCHA (ES) 2012-02-09 WO disclosed