SCHEMBL13869575

SCHEMBL13869575

CCN(CC)c1ccc2cc(-c3cc4sc(-c5cc6ccc(N(CC)CC)cc6oc5=O)cc4s3)c(=O)oc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.75
MAPT P10636 14/20 0.57
MEN1 O00255 9/20 0.57
KMT2A Q03164 9/20 0.57
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 7/20 0.57
HPGD P15428 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
LMNA P02545 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
HTT P42858 5/20 0.57
NPC1 O15118 4/20 0.57
USP2 O75604 4/20 0.57
RAB9A P51151 3/20 0.57
ATM Q13315 5/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
MAOB P27338 1/20 0.56
CYP2C19 P33261 1/20 0.56
SLC16A3 O15427 1/20 0.56

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
SCHEMBL7921021 0.89 CYP19A1 (0.67) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869410 0.88 CYP19A1 (0.77) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13886341 0.88 CYP19A1 (0.77) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869563 0.87 CYP19A1 (0.64) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869607 0.86 CYP19A1 (0.62) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869596 0.85 CYP19A1 (0.60) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869595 0.85 CYP19A1 (0.60) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869425 0.83 CYP19A1 (0.68) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL18113715 0.82 MAPT (0.75) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL29375109 0.82 MAPT (0.75) 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 1 patent. 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