SCHEMBL31585545

SCHEMBL31585545

Cc1ccc(S(=O)(=O)OC2CC(Oc3ccc(-c4cocn4)cc3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
CYP2D6 P10635 2/20 0.37
SCN9A Q15858 2/20 0.35
CA12 O43570 2/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.33
PTGS1 P23219 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FPR2 P25090 2/20 0.31

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
SCHEMBL31585093 0.76 CYP2D6 (0.48) NAAACYP2D6MEN1KMT2AMAPT
SCHEMBL11024377 0.74 CYP2D6 (0.58) NAAACYP2D6CA12CA2MEN1
SCHEMBL14780313 0.74 CYP2D6 (0.58) NAAACYP2D6CA12CA2MEN1
SCHEMBL11024375 0.74 CYP2D6 (0.58) NAAACYP2D6CA12CA2MEN1
SCHEMBL31585035 0.73 HDAC4 (0.38) NAAASCN9AGPR119
SCHEMBL31308763 0.73 ACHE (0.46) NAAACYP2D6CA2MEN1KMT2A
SCHEMBL1032222 0.71 SCN9A (0.39) NAAASCN9ACA12CA2EDNRB
SCHEMBL9288053 0.71 ENPP3 (0.47) SCN9AMEN1KMT2AMAPTEDNRB
SCHEMBL31565470 0.69 CA12 (0.44) NAAACYP2D6CA12CA2MEN1
SCHEMBL25417201 0.68 CYP2D6 (0.52) NAAACYP2D6CA12CA2MEN1

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-2025106362-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2025-05-22 WO disclosed