SCHEMBL13869735

SCHEMBL13869735

CCN(CC)c1ccc2cc(-c3cccc(-c4ccc5c(c4)c4cc(-c6cccc(-c7cc8ccc(N(CC)CC)cc8oc7=O)c6)ccc4n5-c4ccccc4)c3)c(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.56
HTT P42858 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 4/20 0.56
USP2 O75604 4/20 0.56
RAB9A P51151 3/20 0.56
CYP19A1 P11511 4/20 0.56
NR1H4 Q96RI1 1/20 0.55
ATM Q13315 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
HBB P68871 2/20 0.52
HSD17B10 Q99714 2/20 0.52

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
SCHEMBL13869756 0.98 MAPT (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13869755 0.97 MAPT (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13869750 0.93 CYP19A1 (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13869700 0.93 MAPT (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13869745 0.92 CYP19A1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13869760 0.90 CYP19A1 (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13869759 0.89 CYP19A1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13869710 0.88 CYP19A1 (0.60) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13869675 0.88 CYP19A1 (0.60) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13869692 0.87 MAPT (0.56) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed