SCHEMBL1826432

SCHEMBL1826432

CCN(C#N)c1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.35
ALDH1A1 P00352 10/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
MC4R P32245 1/20 0.33
SCN4A P35499 1/20 0.33
MC3R P41968 1/20 0.33
HTR3A P46098 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN3A Q9NY46 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
SCHEMBL11656389 0.71 TSHR (0.39) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL11510699 0.70 ALDH1A1 (0.36) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL10935007 0.70 ALDH1A1 (0.40) TSHRALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL2243707 0.70 NPSR1 (0.44) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL18458675 0.69 ALDH1A1 (0.42) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL13159021 0.68 ALDH1A1 (0.42) TSHRALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL11050018 0.68 KMT2A (0.38) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL7411647 0.67 SIGMAR1 (0.49) KMT2ATSHRALDH1A1L3MBTL1LMNA
SCHEMBL13158953 0.67 MEN1 (0.40) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL7409467 0.66 SIGMAR1 (0.41) ALDH1A1L3MBTL1KDM4E

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
US-8987393-B2 Catalyst component for the polymerization of olefins having a guanidinate ligand LANXESS ELASTOMERS B.V. (NL) 2015-03-24 US disclosed
US-20130079478-A1 CATALYST COMPONENT FOR THE POLYMERIZATION OF OLEFINS HAVING A GUANIDINATE LIGAND LANXESS ELASTOMERS B.V. 2013-03-28 US disclosed
EP-2496612-A1 CATALYST COMPONENT FOR THE POLYMERIZATION OF OLEFINS HAVING A GUANIDINATE LIGAND Lanxess Elastomers B.V. (NL) 2012-09-12 EP disclosed
WO-2011054927-A1 CATALYST COMPONENT FOR THE POLYMERIZATION OF OLEFINS HAVING A GUANIDINATE LIGAND DSM IP ASSETS B.V. (NL) 2011-05-12 WO disclosed
EP-2319874-A1 Catalyst component for the polymerization of olefins having a guanidinate ligand DSM IP Assets B.V. (NL) 2011-05-11 EP disclosed