SCHEMBL17319458

SCHEMBL17319458

CC[C@@H]1CCC1S(=O)(=O)c1cccc2cccc(N(C)C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTR6 P50406 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ F2 P00734 3/20 0.33
▸ PRSS1 P07477 3/20 0.33
▸ PRSS2 P07478 3/20 0.33
▸ PRSS3 P35030 3/20 0.33
▸ EDNRA P25101 4/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32

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
SCHEMBL12698753 0.76 KDM4E (0.47) MAPTKDM4EGAACYP1A2CYP2C19
SCHEMBL10048751 0.74 GAA (0.57) MAPTKDM4EGAACYP1A2CYP2C19
SCHEMBL8149846 0.71 CA2 (0.64) MAPTKDM4EGAACYP1A2CYP2C19
SCHEMBL14845761 0.71 GAA (0.61) MAPTKDM4EGAACYP1A2CYP2C19
SCHEMBL17807515 0.71 GAA (0.52) MAPTKDM4EGAACYP1A2CYP2C19
SCHEMBL9676821 0.70 GAA (0.59) MAPTKDM4EGAACYP1A2CYP2C19
SCHEMBL4889389 0.70 GAA (0.59) MAPTKDM4EGAACYP1A2CYP2C19
SCHEMBL17322787 0.70 GAA (0.59) MAPTKDM4EGAACYP1A2CYP2C19
SCHEMBL30116330 0.70 GAA (0.59) MAPTKDM4EGAACYP1A2CYP2C19
SCHEMBL10344242 0.69 MAPT (0.49) MAPTKDM4EGAACYP1A2CYP2C19

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
US-9205144-B2 Identification of conserved peptide blocks in homologous polypeptides DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-12-08 — — US disclosed
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