SCHEMBL825299

SCHEMBL825299

CC(C)(CNCc1ncc[nH]1)NCc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.46
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
TERT O14746 1/20 0.37
ALOX15 P16050 1/20 0.36
BRD4 O60885 1/20 0.35
FDPS P14324 1/20 0.35
FPR2 P25090 1/20 0.35
HTR1A P08908 1/20 0.34
IGF1R P08069 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8233905 0.82 TAAR1 (0.55) TAAR1KLK1KLK5TERTALOX15
SCHEMBL2474802 0.78 TAAR1 (0.57) TAAR1KLK1KLK5TERTALOX15
SCHEMBL1040322 0.74
SCHEMBL369710 0.74 TAAR1 (0.53) TAAR1KLK1KLK5TERTALOX15
SCHEMBL5355358 0.72 TAAR1 (0.52) TAAR1KLK1KLK5TERTALOX15
SCHEMBL6225559 0.72 TAAR1 (0.47) TAAR1KLK1KLK5TERTALOX15
SCHEMBL172638 0.70 TAAR1 (0.46) TAAR1KLK1KLK5TERTALOX15
SCHEMBL7748015 0.70 TAAR1 (0.46) TAAR1KLK1KLK5TERTALOX15
SCHEMBL46657 0.70
SCHEMBL4775864 0.69 TERT (0.59) TAAR1KLK1KLK5TERTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582744-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS Akzo Nobel Chemicals International B.V. (NL) 2013-04-24 EP disclosed
EP-2521750-A1 CURING LIQUIDS OMG Additives Limited (GB) 2012-11-14 EP disclosed
WO-2011157673-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-12-22 WO disclosed
WO-2011083309-A1 CURING LIQUIDS UNILEVER PLC (GB) 2011-07-14 WO disclosed