SCHEMBL12698753

SCHEMBL12698753

CN(C)c1cccc2cccc(S(=O)(=O)CC3CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CA2 P00918 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTR6 P50406 2/20 0.36
▸ F2 P00734 3/20 0.36
▸ PRSS1 P07477 3/20 0.36
▸ PRSS2 P07478 3/20 0.36
▸ PRSS3 P35030 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ EDNRA P25101 2/20 0.35

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
SCHEMBL10048751 0.82 GAA (0.57) KDM4EGAAMAPTCA2CYP1A2
SCHEMBL17807515 0.78 GAA (0.52) KDM4EGAAMAPTCA2CYP1A2
SCHEMBL17319458 0.76 MAPT (0.42) KDM4EGAAMAPTCA2CYP1A2
SCHEMBL8149846 0.75 CA2 (0.64) KDM4EGAAMAPTCA2CYP1A2
SCHEMBL14845761 0.75 GAA (0.61) KDM4EGAAMAPTCA2CYP1A2
SCHEMBL4889389 0.73 GAA (0.59) KDM4EGAAMAPTCA2CYP1A2
SCHEMBL9676821 0.73 GAA (0.59) KDM4EGAAMAPTCA2CYP1A2
SCHEMBL17322787 0.73 GAA (0.59) KDM4EGAAMAPTCA2CYP1A2
SCHEMBL30116330 0.73 GAA (0.59) KDM4EGAAMAPTCA2CYP1A2
SCHEMBL15631840 0.72 GAA (0.57) KDM4EGAAMAPTCA2CYP1A2

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
EP-2502628-A2 Polynucleotides and polypeptide sequences involved in cancer Alethia Biotherapeutics Inc. (CA) 2012-09-26 — — EP disclosed
Send feedback