SCHEMBL28189802

SCHEMBL28189802

C=C(C)C(=O)OCCN1CCCCC1.O=C1N=CC=N1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.38
BCHE P06276 1/20 0.38
PSMB1 P20618 2/20 0.38
PSMB5 P28074 2/20 0.38
PSMB2 P49721 2/20 0.38

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
SCHEMBL21274378 0.86 KMT2A (0.46) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL881770 0.86 KMT2A (0.46) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL68651 0.86 KMT2A (0.46) KMT2AMEN1HPGDNPSR1KDM4E
Bromide SCHEMBL10788752 0.84 KMT2A (0.45) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL68168 0.84 THRB (0.47) KMT2AMEN1HPGDNPSR1BCHE
Nitric Acid SCHEMBL1403312 0.78 KDM4E (0.41) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL12860038 0.78 THRB (0.50) KMT2AMEN1KDM4E
SCHEMBL235038 0.78 THRB (0.50) KMT2AMEN1KDM4E
SCHEMBL7750904 0.77 THRB (0.53) KMT2AMEN1KDM4EMAPK1
SCHEMBL10349193 0.77 TSHR (0.50) KMT2AMEN1KDM4EMAPK1

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
CN-107428889-A aqueous dispersion 湛新奥地利有限公司 2017-12-01 CN disclosed