SCHEMBL3079819

SCHEMBL3079819

CC(C)(C)CC(C)(C)NC(=O)c1cc(N)cc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
HTT P42858 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
EPHX1 P07099 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DUT P33316 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAP4K4 O95819 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13139946 0.97 POLB (0.60) POLBHTTSMN1; SMN2MAPTMEN1
SCHEMBL2916981 0.87 POLB (0.70) POLBHTTSMN1; SMN2MAPTMEN1
SCHEMBL688944 0.83 POLB (0.70) POLBHTTSMN1; SMN2MAPTMEN1
SCHEMBL3076922 0.80 POLB (0.44) POLBHTTSMN1; SMN2MAPTMEN1
SCHEMBL3079822 0.78 CNR1 (0.38) POLBEPHX1ALDH1A1
SCHEMBL6566803 0.77 POLB (0.57) POLBHTTSMN1; SMN2MAPTKMT2A
SCHEMBL13178777 0.77 POLB (0.57) POLBHTTSMN1; SMN2MAPTMEN1
SCHEMBL6567249 0.77 POLB (0.57) POLBHTTSMN1; SMN2MAPTMEN1
SCHEMBL13139932 0.76 JAK2 (0.43) POLBHTTMAPTMEN1KMT2A
SCHEMBL24263392 0.75 POLB (1.00) POLBHTTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 US disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 WO disclosed