SCHEMBL30646286

SCHEMBL30646286

O=S(=O)(Nc1ncc(Br)cn1)c1cc(Cl)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.54
ACLY P53396 1/20 0.46
EDNRA P25101 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SGK1 O00141 8/20 0.44
SCN9A Q15858 1/20 0.43
CYP3A4 P08684 1/20 0.43
SGK3 Q96BR1 1/20 0.43
SGK2 Q9HBY8 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
CCR4 P51679 1/20 0.42
CCR2 P41597 1/20 0.42

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
SCHEMBL29738820 0.76 ALPL (0.48) ALPLACLYALDH1A1SMN1; SMN2SGK1
SCHEMBL29114590 0.76 ALPL (0.48) ALPLACLYALDH1A1SMN1; SMN2SGK1
SCHEMBL22034348 0.75 EDNRA (0.54) ALPLEDNRAALDH1A1CCR4
SCHEMBL17001151 0.71 CCR2 (0.57) CCR2
SCHEMBL27561521 0.71 ALPL (0.69) ALPLACLYALDH1A1SMN1; SMN2SGK1
SCHEMBL320738 0.71 SLC22A12 (0.56) SGK1SCN9A
SCHEMBL1094279 0.70 SCN9A (0.57) SCN9A
SCHEMBL30479362 0.70 USP2 (0.78) SMN1; SMN2SCN9A
SCHEMBL29668913 0.70 SCN1A (0.63) SCN9A
SCHEMBL26567167 0.70 CA12 (0.52) ALPLACLYALDH1A1SGK1CCR2

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
CN-117062817-A Pyrazolo [3,4-D ] pyrimidin-6-yl-sulfonamide derivatives for SGK-1 inhibition 斯瑞福治疗股份有限公司 2023-11-14 CN disclosed