SCHEMBL31111607

SCHEMBL31111607

CCC(c1ccccc1F)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PSIP1 O75475 1/20 0.40
MC4R P32245 2/20 0.37
TSHR P16473 1/20 0.36
CYP3A4 P08684 2/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 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
Hydrochloric Acid SCHEMBL31111474 0.98 CA12 (0.40) CA12CA1CA2CA9PSIP1
SCHEMBL15579235 0.86 CES2 (0.38) CA12CA1CA2CA9PSIP1
SCHEMBL27540936 0.82 PSIP1 (0.40) CA12CA1CA2CA9PSIP1
SCHEMBL30636762 0.80 PSIP1 (0.37) CA12CA1CA2CA9PSIP1
SCHEMBL8607411 0.80 TSHR (0.55) CA12CA1CA2CA9TSHR
SCHEMBL30536461 0.79 APLNR (0.38) MC4RCYP3A4IDO1TDO2CES2
SCHEMBL30536463 0.79 APLNR (0.38) MC4RCYP3A4IDO1TDO2CES2
SCHEMBL15923853 0.79 CA2 (0.42) CA12CA1CA2CA9TSHR
SCHEMBL9860426 0.78 CA12 (0.39) CA12CA1CA2CA9PSIP1
SCHEMBL31190023 0.77 CA1 (0.53) CA12CA1CA2CA9TSHR

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-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed