SCHEMBL15062326

SCHEMBL15062326

CN(C)C(=O)C#Cc1ccccc1C#CC(=O)N(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.68
HSP90AA1 P07900 1/20 0.39
NTSR1 P30989 1/20 0.39
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
P2RX4 Q99571 1/20 0.32
BCHE P06276 1/20 0.32
VCP P55072 1/20 0.32
HPGD P15428 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
SCHEMBL27165279 0.87 NPSR1 (0.58) NPSR1HSP90AA1NTSR1RAB9ANPC1
SCHEMBL11636289 0.81 NPSR1 (1.00) NPSR1HSP90AA1RAB9ANPC1KMT2A
SCHEMBL30772315 0.72 HSP90AA1 (0.48) NPSR1HSP90AA1NTSR1RAB9ANPC1
SCHEMBL6988951 0.68 NPSR1 (0.38) NPSR1RAB9ANPC1KMT2AALDH1A1
SCHEMBL1922376 0.67 PTGDR2 (0.40) NPSR1KMT2AMEN1P2RX4BCHE
SCHEMBL22575456 0.65 NPSR1 (0.54) NPSR1RAB9ANPC1KMT2AALDH1A1
SCHEMBL8853438 0.64 MEN1 (0.49) NPSR1RAB9ANPC1KMT2AALDH1A1
SCHEMBL25918159 0.64 NPSR1 (0.70) NPSR1HSP90AA1RAB9ANPC1KMT2A
SCHEMBL12430910 0.64 FFAR1 (0.45) HSP90AA1NTSR1RAB9ANPC1ALDH1A1
SCHEMBL30231559 0.64 FFAR1 (0.49) NPSR1HSP90AA1NTSR1TSHRVCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846833-B2 Pressure-sensitive adhesives with high molar masses and narrow molar mass distribution and process for preparing them TESA SE (DE) 2014-09-30 US disclosed
US-20130165606-A1 Pressure-Sensitive Adhesives with High Molar Masses and Narrow Molar Mass Distribution and Process for Preparing them TESA SE (DE) 2013-06-27 US disclosed
EP-2607394-A1 Adhesive masses with high mole masses and a dense mole mass distribution and process for their preparation tesa AG (DE) 2013-06-26 EP disclosed