SCHEMBL2728636

SCHEMBL2728636

CC(C)(C)OC(=O)NCCc1ccc(NCCCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.55
CA2 P00918 5/20 0.50
CA1 P00915 3/20 0.50
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR1 P21554 2/20 0.42
IGF1R P08069 1/20 0.42
NQO2 P16083 1/20 0.42
PTGER4 P35408 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
IDO1 P14902 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL15599542 0.88 NAMPT (0.56) NAMPTCA2CA1LMNAMAPT
SCHEMBL23291264 0.86 NAMPT (0.57) NAMPTCA2CA1LMNAMAPT
SCHEMBL23291280 0.85 NAMPT (0.54) NAMPTCA2CA1LMNAMAPT
SCHEMBL23291263 0.84 NAMPT (0.53) NAMPTCA2CA1LMNAMAPT
SCHEMBL16626939 0.84 NAMPT (0.61) NAMPTCA2CA1LMNACNR1
SCHEMBL7015585 0.83 NAMPT (0.59) NAMPTCA2CA1LMNAMAPT
SCHEMBL4867801 0.82 NAMPT (0.58) NAMPTCA2CA1MAPTIDO1
SCHEMBL1438370 0.81 CYP17A1 (0.50) NAMPTCA2CA1
SCHEMBL14326995 0.81 CA2 (0.55) NAMPTCA2CA1LMNACTSK
SCHEMBL21521028 0.81 CA2 (0.55) NAMPTCA2CA1LMNAMAPT

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-2012058325-A1 COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 ONCOTHYREON INC. (US) 2012-05-03 WO disclosed