SCHEMBL17952968

SCHEMBL17952968

c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cncc(-c3cncc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
P2RX4 Q99571 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHEK1 O14757 1/20 0.33
DRD2 P14416 3/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
HTR1A P08908 2/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TGFBR1 P36897 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
SCHEMBL9093126 0.88 P2RX4 (0.39) P2RX4MAPTSMN1; SMN2NPSR1FAAH
SCHEMBL11987837 0.88 KDM4E (0.38) MKNK1MKNK2TNKS2
SCHEMBL17952807 0.87 CHRNB4 (0.38) P2RX4MAPTSMN1; SMN2NPSR1CHRNB4
SCHEMBL6123854 0.86 P2RX4 (0.42) P2RX4MAPTSMN1; SMN2NPSR1FAAH
SCHEMBL13302920 0.85 KDM4E (0.33)
SCHEMBL11987853 0.85 KDM4E (0.33)
SCHEMBL14595503 0.85 FAAH (0.43) P2RX4MAPTSMN1; SMN2NPSR1FAAH
SCHEMBL12414458 0.85 FAAH (0.43) P2RX4MAPTSMN1; SMN2NPSR1FAAH
SCHEMBL17952901 0.84 FAAH (0.38) MKNK1MKNK2CYP11B1CYP11B2P2RX4
SCHEMBL19268478 0.83 NOTUM (0.42) P2RX4MAPTSMN1; SMN2FAAHMGLL

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-3247771-B1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-06-10 EP disclosed
US-10544361-B2 Pyridines and derivatives thereof as components for use in optoelectronic components CYNORA GMBH (DE) 2020-01-28 US disclosed
WO-2016116517-A1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed