SCHEMBL13869811

SCHEMBL13869811

CCN(CC)c1ccc2c(C)c(-c3ccc(-c4ccc5c(c4)-c4cc(-c6cnc(-c7cc8cc9ccccc9cc8oc7=O)cn6)ccc4C5(C)C)s3)c(=O)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HPGD P15428 3/20 0.44
HIF1A Q16665 1/20 0.44
EP300 Q09472 1/20 0.40
HTT P42858 7/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
LMNA P02545 6/20 0.37
ATM Q13315 5/20 0.37
USP2 O75604 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
CYP19A1 P11511 4/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL13869789 0.83 MAPT (0.49) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13886347 0.82 MAPT (0.36) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869834 0.80 MAPT (0.52) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13886340 0.78 MAPT (0.44) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869629 0.77 MAPT (0.55) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869797 0.77 CYP19A1 (0.54) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869702 0.77 MAPT (0.46) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869801 0.76 CYP19A1 (0.59) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869794 0.75 ALDH1A1 (0.71) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869678 0.75 MAPT (0.50) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1

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