SCHEMBL21152108

SCHEMBL21152108

CNC1(C(=O)N(C=O)c2ccccc2)CCN(S(=O)(=O)CCC(=O)OC(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
P2RY12 Q9H244 2/20 0.33
SLC6A9 P48067 7/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CACNA1C Q13936 1/20 0.31
PTPRB P23467 1/20 0.31
PTPN11 Q06124 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL21150818 0.80 TSHR (0.44) PTPRBPTPN11PKMKDM4E
SCHEMBL21151307 0.70 KDM1A (0.41)
SCHEMBL21150835 0.69 NR1H2 (0.39)
SCHEMBL21152096 0.69 OPRM1 (0.43) POLBKDM4E
SCHEMBL21150772 0.69 ITGB3 (0.38) POLBSLC6A9MAPT
SCHEMBL21151877 0.67 KMT2A (0.48) SMN1; SMN2KDM4E
SCHEMBL21150851 0.67 GPR119 (0.39) MAPT
SCHEMBL24974652 0.62 MT-CO2 (0.42) POLBMAPTGAA
SCHEMBL21150756 0.61 GPR119 (0.37) MAPTKDM4E
SCHEMBL1146762 0.60 FAAH (0.46) GAA

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
WO-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed