SCHEMBL3342831

SCHEMBL3342831

OC1=CC=C(Cl)CC1=NCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
SYK P43405 1/20 0.33
HRH1 P35367 1/20 0.33
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL3343577 0.83 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL3347444 0.81 MAP1LC3B (0.37) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL3342443 0.80 ALDH1A1 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL3342426 0.78 L3MBTL1 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL3341792 0.76 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL3347065 0.69 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL3347650 0.66 POLB (0.39) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL1043027 0.65 HRH1 (0.54) SMN1; SMN2ALDH1A1L3MBTL1HRH1CYP1A2
SCHEMBL1140168 0.64
SCHEMBL21985094 0.63 HRH1 (0.52) SMN1; SMN2ALDH1A1L3MBTL1HRH1CYP1A2

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