SCHEMBL30201222

SCHEMBL30201222

COc1ccc(CN(c2ccncn2)S(=O)(=O)c2ccc(F)cc2F)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
AXL P30530 1/20 0.36
TRPA1 O75762 2/20 0.36
GAA P10253 2/20 0.35
OXTR P30559 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL15465002 1.00 POLB (0.39) POLBPIK3CAPIK3CDPIK3CBPIK3CG
Formic Acid SCHEMBL28851354 0.96 POLB (0.40) POLBPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL25090413 0.92 GAA (0.39) POLBGAAOXTRKDM4EALDH1A1
SCHEMBL14934588 0.91 POLB (0.41) POLBGAAKDM4EALDH1A1CYP1A2
SCHEMBL29481979 0.91 POLB (0.41) POLBGAAKDM4EALDH1A1CYP1A2
SCHEMBL20073167 0.91 POLB (0.38) POLBGAAKDM4EALDH1A1CYP1A2
SCHEMBL25090187 0.91 POLB (0.38) POLBGAAOXTRKDM4EALDH1A1
SCHEMBL29481973 0.90 POLB (0.40) POLBKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL15463758 0.90 POLB (0.39) POLBGAAKDM4EALDH1A1CYP1A2
SCHEMBL15464546 0.89 HDAC8 (0.39) POLBGAAKDM4EALDH1A1CYP1A2

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-2023028056-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-03-02 WO disclosed