SCHEMBL13869629

SCHEMBL13869629

CCN(CC)c1ccc2c(C)c(-c3ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc(-c7cc8cc9ccccc9cc8oc7=O)s6)c6ccccc56)c5ccccc45)cc3)c(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
HPGD P15428 3/20 0.55
HIF1A Q16665 1/20 0.55
EP300 Q09472 1/20 0.51
CYP19A1 P11511 2/20 0.44
HTT P42858 8/20 0.43
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 6/20 0.42
GLA P06280 2/20 0.42
GAA P10253 1/20 0.42
KLK7 P49862 1/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
LMNA P02545 6/20 0.42
NPC1 O15118 4/20 0.42
USP2 O75604 3/20 0.42

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
SCHEMBL13869582 0.89 MAPT (0.53) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869678 0.86 MAPT (0.50) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869789 0.85 MAPT (0.49) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869724 0.84 EP300 (0.49) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869811 0.77 MAPT (0.44) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869376 0.77 ALDH1A1 (0.68) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869834 0.76 MAPT (0.52) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869382 0.76 CYP19A1 (0.68) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869613 0.76 CYP19A1 (0.68) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL5590828 0.76 ALDH1A1 (0.78) 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 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