SCHEMBL3347065

SCHEMBL3347065

CC1=CCC(=NCc2ccccn2)C(O)=C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP1A2 P05177 2/20 0.32
TSHR P16473 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
SCHEMBL3341792 0.78 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AHRH1ALDH1A1
SCHEMBL3849158 0.72 TP53 (0.34) SMN1; SMN2L3MBTL1KMT2ACYP1A2TSHR
SCHEMBL3342443 0.71 ALDH1A1 (0.36) SMN1; SMN2NPC1RAB9AHRH1ALDH1A1
SCHEMBL3342831 0.69 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AHRH1ALDH1A1
SCHEMBL3347444 0.67 MAP1LC3B (0.37) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL3343574 0.65 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9AHRH1ALDH1A1
SCHEMBL3343580 0.65 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9AHRH1ALDH1A1
SCHEMBL3340989 0.65 ALDH1A1 (0.40) NPC1RAB9AHRH1ALDH1A1HRH3
SCHEMBL1043027 0.64 HRH1 (0.54) SMN1; SMN2HRH1ALDH1A1L3MBTL1HRH3
SCHEMBL17691642 0.64 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHRH1ALDH1A1

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-2010550-B1 POLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS WITH PYRIDINO-IMINOPHENOL COMPLEXES TOTAL RES & TECHNOLOGY FELUY (BE) 2013-06-19 EP disclosed
US-8399582-B2 Polymerisation of ethylene and alpha-olefins with pyridino-iminophenol complexes TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2013-03-19 US disclosed
US-20100160583-A1 Polymerisation of Ethylene and Alpha-Olefins with Pyridino-Iminophenol Complexes TOTAL PETROCHEMICALS RESEARCH FEULY (BE) 2010-06-24 US disclosed
EP-1849791-A1 Polymerisation of ethylene and alpha-olefins with pyridino-iminophenol complexes TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2007-10-31 EP disclosed