SCHEMBL20428276

SCHEMBL20428276

CCN(CC)c1ccc2c(c1)OC(C)C=C2N(C)c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 7/20 0.37
LMNA P02545 4/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 4/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
USP2 O75604 1/20 0.37
ATM Q13315 1/20 0.37
CES1 P23141 1/20 0.36
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL1263095 0.67 ALDH1A1 (0.60) MAOBALDH1A1L3MBTL1MAPTLMNA
SCHEMBL8856053 0.65 SLC2A1 (0.58) MAOBALDH1A1L3MBTL1MAPTTP53
SCHEMBL24198288 0.65 ALDH1A1 (0.39) MAOBALDH1A1L3MBTL1MAPTTP53
SCHEMBL25904709 0.65 S100B (0.39) MAOBALDH1A1L3MBTL1MAPTLMNA
SCHEMBL11304575 0.63 MAOB (0.47) MAOBALDH1A1L3MBTL1MAPTLMNA
SCHEMBL20420743 0.63 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTLMNATP53
SCHEMBL11693350 0.63 MAOB (0.47) MAOBALDH1A1L3MBTL1MAPTLMNA
SCHEMBL21628199 0.63 MAOB (0.47) MAOBALDH1A1L3MBTL1MAPTLMNA
SCHEMBL114319 0.62 CA1 (0.61) ALDH1A1MAPTTP53MAPK1TDP1
SCHEMBL28043306 0.62 ALDH1A1 (0.40) MAOBALDH1A1L3MBTL1MAPTTP53

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
EP-3354648-A1 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF Guizhou Bailing Group Pharmaceutical Co., Ltd. (CN) 2018-08-01 EP disclosed