SCHEMBL7916240

SCHEMBL7916240

CNc1ccc(OC)c(COc2cccc3ccc(C)nc23)c1OC.O=C1CN1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7915766 0.92 BDKRB2 (0.42) BDKRB2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7919672 0.90 BDKRB2 (0.50) BDKRB2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7913260 0.89 BDKRB2 (0.44) BDKRB2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7919667 0.88 BDKRB2 (0.44) BDKRB2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7914178 0.83 BDKRB2 (0.48) BDKRB2MEN1KMT2AALDH1A1PTGDR2
SCHEMBL7914190 0.80 BDKRB2 (0.50) BDKRB2
SCHEMBL6580622 0.79 BDKRB2 (0.55) BDKRB2MEN1KMT2AKDM4EALDH1A1
SCHEMBL8367539 0.75 GAA (0.49) BDKRB2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6578362 0.75 MEN1 (0.59) BDKRB2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6580640 0.74 BDKRB2 (0.42) BDKRB2MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US disclosed