SCHEMBL13869491

SCHEMBL13869491

CCN(CC)c1ccc2cc(-c3cnc(-c4cnc(-c5cc6ccccc6oc5=O)cn4)cn3)c(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.67
MAPT P10636 15/20 0.60
MEN1 O00255 10/20 0.60
KMT2A Q03164 10/20 0.60
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
HTT P42858 5/20 0.60
NPC1 O15118 5/20 0.60
LMNA P02545 5/20 0.60
RAB9A P51151 4/20 0.60
USP2 O75604 4/20 0.60
ATM Q13315 5/20 0.59
NPSR1 Q6W5P4 3/20 0.59
CASP1 P29466 2/20 0.59
CASP7 P55210 2/20 0.59
HBB P68871 2/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
BRCA1 P38398 1/20 0.59

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
SCHEMBL13869480 0.93 CYP19A1 (0.64) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869809 0.93 CYP19A1 (0.77) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869492 0.90 CYP19A1 (0.59) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869847 0.89 CYP19A1 (0.67) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869487 0.87 CYP19A1 (0.59) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869483 0.87 CYP19A1 (0.64) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869495 0.87 CYP19A1 (0.49) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869821 0.86 CYP19A1 (0.60) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869488 0.84 CYP19A1 (0.64) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL12651808 0.84 CYP19A1 (0.70) CYP19A1MAPTMEN1KMT2AKDM4E

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