SCHEMBL13869433

SCHEMBL13869433

CCN(CC)c1ccc2cc(-c3cccc(-c4ccc(-c5ccc(-c6cccc(-c7cc8ccc(N(CC)CC)cc8oc7=O)c6)o5)o4)c3)c(=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.68
MAPT P10636 14/20 0.61
MEN1 O00255 9/20 0.61
KMT2A Q03164 9/20 0.61
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 7/20 0.61
HTT P42858 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 4/20 0.61
LMNA P02545 4/20 0.61
USP2 O75604 4/20 0.61
RAB9A P51151 3/20 0.61
NR1H4 Q96RI1 1/20 0.59
THRB P10828 1/20 0.59
ATM Q13315 5/20 0.54
HPGD P15428 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54
HBB P68871 2/20 0.54

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
SCHEMBL4311784 0.93 CYP19A1 (0.79) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869445 0.92 CYP19A1 (0.58) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869279 0.92 CYP19A1 (0.77) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869300 0.92 CYP19A1 (0.77) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869499 0.90 CYP19A1 (0.75) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869264 0.89 CYP19A1 (0.73) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869326 0.89 CYP19A1 (0.73) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869643 0.87 CYP19A1 (0.70) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869529 0.87 CYP19A1 (0.70) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869506 0.86 CYP19A1 (0.86) 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