SCHEMBL9955982

SCHEMBL9955982

CCn1nc2c(c1C(=O)Cl)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 4/20 0.37
CYP1A2 P05177 2/20 0.37
POLQ O75417 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 3/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL21836678 0.83 POLB (0.50) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL26690358 0.81 POLB (0.60) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL26416201 0.81 MAPT (0.47) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL21836697 0.80 MAPT (0.46) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL16144859 0.79 MAPT (0.72) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL26690229 0.76 MAPT (0.43) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL21836694 0.75 MAPT (0.42) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL22344794 0.72 POLB (0.40) POLBMAPTTDP1L3MBTL1CYP1A2
SCHEMBL21836690 0.72 KDM4E (0.49) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL12073694 0.71 POLQ (0.42) POLBMAPTTDP1L3MBTL1GAA

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
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed