SCHEMBL27952014

SCHEMBL27952014

O=C(OCc1ccccc1)c1cc2cc(Br)ccc2oc1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GRIN1 Q05586 1/20 0.61
GRIN2A Q12879 1/20 0.61
GRIN2B Q13224 1/20 0.61
GRIN2C Q14957 1/20 0.61
GPR35 Q9HC97 1/20 0.61
F12 P00748 1/20 0.58
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
MAOA P21397 2/20 0.56
POLB P06746 2/20 0.56
F2 P00734 1/20 0.55
MAOB P27338 2/20 0.54
ALDH1A1 P00352 3/20 0.53
USP2 O75604 2/20 0.53
HTT P42858 1/20 0.53
MIF P14174 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52

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
SCHEMBL3366496 0.86 POLB (0.71) MEN1KMT2AGPR35CA12CA9
SCHEMBL22479063 0.85 PIM1 (0.60) KMT2AGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL11484256 0.82 MAOB (0.74) GRIN1GRIN2AGRIN2BGRIN2CGPR35
SCHEMBL27951953 0.81 POLB (0.75) MEN1KMT2AF12CA12CA9
SCHEMBL28295864 0.80 MIF (0.72) MEN1KMT2AMAOAPOLBMAOB
SCHEMBL1808756 0.78 MAOA (0.71) MEN1KMT2AGRIN1GRIN2AGRIN2B
SCHEMBL93300 0.77 MAOB (0.85) CA12MAOAMAOBCA2CA4
SCHEMBL569881 0.77 GPR35 (1.00) KMT2AGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL3589538 0.77 MAOB (0.84) MEN1KMT2ACA12CA9MAOA
SCHEMBL2038036 0.77 MAOA (0.72) MEN1KMT2AGRIN1GRIN2AGRIN2B

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
CN-103626730-B A kind of preparation method of Coumarin-3-carboxylic ester derivant 安徽师范大学 2016-08-17 CN disclosed
CN-103626730-A Preparation method for coumarin-3-carboxylic ester derivative UNIV ANHUI NORMAL 2014-03-12 CN disclosed