SCHEMBL3340989

SCHEMBL3340989

OC1=CC=CCC1=NCCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HRH1 P35367 2/20 0.38
LMNA P02545 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NAAA Q02083 1/20 0.36
DYRK1A Q13627 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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 0.86 SMN1; SMN2 (0.41) ALDH1A1HRH3HRH1LMNATAAR1
SCHEMBL3849663 0.76 PTPRA (0.40) ALDH1A1HRH3CYP1A2NPC1RAB9A
SCHEMBL3347650 0.73 POLB (0.39) ALDH1A1HRH1LMNACYP1A2CYP2C19
SCHEMBL3343312 0.73 ADRA2A (0.39) ALDH1A1LMNAALOX15TDP1NPC1
SCHEMBL375097 0.67 HRH1 (0.55) ALDH1A1HRH3HRH1LMNATAAR1
SCHEMBL3581477 0.67 HRH1 (0.55) ALDH1A1HRH3HRH1LMNATAAR1
SCHEMBL5499742 0.67 HRH1 (0.59) ALDH1A1HRH3HRH1LMNATAAR1
SCHEMBL6754112 0.65 HRH3 (0.44) ALDH1A1HRH3HRH1LMNATAAR1
SCHEMBL3347065 0.65 SMN1; SMN2 (0.40) ALDH1A1HRH3HRH1CYP1A2NPC1
SCHEMBL3340991 0.64 ALDH1A1 (0.41) ALDH1A1HRH3HRH1LMNATAAR1

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
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