SCHEMBL8514010

SCHEMBL8514010

COc1ccc(-c2ccccn2)c(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
BRD9 Q9H8M2 1/20 0.47
BRD7 Q9NPI1 1/20 0.47
GAA P10253 2/20 0.44
SQOR Q9Y6N5 3/20 0.42
KDM4E B2RXH2 5/20 0.42
LMNA P02545 5/20 0.42
POLB P06746 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42

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
SCHEMBL17521568 0.78 SMN1; SMN2 (0.46) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL31438401 0.78 BRD9 (0.56) SMN1; SMN2NPC1RAB9AHPGDBRD9
SCHEMBL17276010 0.78 BRD9 (0.56) SMN1; SMN2NPC1RAB9AHPGDBRD9
SCHEMBL29982775 0.78 BTK (0.51) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL30161832 0.78 BTK (0.51) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL17826973 0.77 CCR1 (0.48) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL20916320 0.75 KDM4E (0.63) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL29727932 0.75 KDM4E (0.63) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL10094726 0.74 SQOR (0.43) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL9007764 0.73 BRD9 (0.41) BRD9BRD7POLBCYP1A2TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9269912-B2 Metal complex comprising a ligand having a combination of donor-acceptor substituents SOLVAY SA (BE) 2016-02-23 US disclosed
US-9269912-B2 Metal complex comprising a ligand having a combination of donor-acceptor substituents SOLVAY SA (BE) 2016-02-23 US disclosed
US-20140005397-A1 METAL COMPLEX COMPRISING A LIGAND HAVING A COMBINATION OF DONOR-ACCEPTOR SUBSTITUENTS SOLVAY SA (BE) 2014-01-02 US disclosed
EP-2643334-A1 A METAL COMPLEX COMPRISING A LIGAND HAVING A COMBINATION OF DONOR-ACCEPTOR SUBSTITUENTS SOLVAY SA (BE) 2013-10-02 EP disclosed
WO-2012069170-A1 A METAL COMPLEX COMPRISING A LIGAND HAVING A COMBINATION OF DONOR-ACCEPTOR SUBSTITUENTS SOLVAY SA (BE) 2012-05-31 WO disclosed
WO-2012069170-A1 A METAL COMPLEX COMPRISING A LIGAND HAVING A COMBINATION OF DONOR-ACCEPTOR SUBSTITUENTS SOLVAY SA (BE) 2012-05-31 WO disclosed