SCHEMBL28199290

SCHEMBL28199290

O=C(Nc1cccc2cccnc12)c1ccccc1F

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.73
MAPT P10636 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
KDR P35968 6/20 0.71
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
RAB9A P51151 1/20 0.67
PKM P14618 1/20 0.67
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.60
PLEC Q15149 1/20 0.60
HDAC6 Q9UBN7 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL27782313 0.89 KDR (0.73) KDM4EMAPTSMN1; SMN2KDRMEN1
SCHEMBL27782316 0.87 MAPT (0.71) KDM4EMAPTSMN1; SMN2KDRMEN1
SCHEMBL1507696 0.87 MAPT (0.78) KDM4EMAPTSMN1; SMN2KDRMEN1
SCHEMBL19748776 0.85 MEN1 (0.68) KDM4EMAPTSMN1; SMN2KDRMEN1
SCHEMBL29832141 0.84 MAPT (1.00) KDM4EMAPTSMN1; SMN2KDRMEN1
SCHEMBL12172758 0.84 MAPT (0.75) KDM4EMAPTSMN1; SMN2KDRMEN1
SCHEMBL19422863 0.84 MAPT (1.00) KDM4EMAPTSMN1; SMN2KDRMEN1
SCHEMBL31565180 0.84 ALDH1A1 (0.64) KDM4EMAPTSMN1; SMN2KDRMEN1
SCHEMBL29510019 0.83 KDR (1.00) KDM4EMAPTSMN1; SMN2KDRMEN1
SCHEMBL19748575 0.83 KDR (0.81) KDM4EMAPTSMN1; SMN2KDRMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527258-A Optically pure amine compound and preparation method and application thereof 西北工业大学 2021-10-22 CN claimed
CN-117486795-A Preparation method of deuterated amide aromatic compound 浙大宁波理工学院 2024-02-02 CN disclosed
CN-113527258-A Optically pure amine compound and preparation method and application thereof 西北工业大学 2021-10-22 CN disclosed
CN-106938985-B 5-site alkenylated 8-acylaminoquinoline compound and one-pot preparation method thereof 湖南大学 2020-05-05 CN disclosed
CN-107698586-B Method for preparing pyridoquinazolinone compound by catalysis of copper compound 广州大学 2020-02-07 CN disclosed
CN-107698586-A It is a kind of that the method for preparing Pyridine-quinazolinocompound compound is catalyzed by copper compound 广州大学 2018-02-16 CN disclosed