SCHEMBL29604690

SCHEMBL29604690

Cc1ccc(S(=O)(=O)n2c(C)c(Br)c3cc(C)cnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.46
GAA P10253 2/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ALDH3A1 P30838 2/20 0.38
NOD1 Q9Y239 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
LATS1 O95835 1/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
MAPT P10636 1/20 0.37
CXCL8 P10145 1/20 0.36
NOD2 Q9HC29 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL19320362 0.83 PTGDR2 (0.45) PTGDR2GAAPKML3MBTL1ALDH3A1
SCHEMBL29604855 0.81 PTGDR2 (0.63) PTGDR2L3MBTL1LATS1
SCHEMBL20576441 0.81 PTGDR2 (0.63) PTGDR2L3MBTL1LATS1
SCHEMBL7513541 0.78 PTGDR2 (0.43) PTGDR2GAAPKML3MBTL1ALDH3A1
SCHEMBL26969367 0.78 LMNA (0.43) PTGDR2GAAPKML3MBTL1ALDH3A1
SCHEMBL26969411 0.76 PTGDR2 (0.40) PTGDR2GAAPKML3MBTL1ALDH3A1
SCHEMBL29605720 0.76 PTGDR2 (0.42) PTGDR2PKML3MBTL1POLBLMNA
SCHEMBL3500448 0.76 CA1 (0.49) PTGDR2GAAPKML3MBTL1ALDH3A1
SCHEMBL29605488 0.76 CA1 (0.49) PTGDR2GAAPKML3MBTL1ALDH3A1
SCHEMBL26969492 0.74 ALDH3A1 (0.44) PTGDR2GAAPKML3MBTL1ALDH3A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4244224-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2023-09-20 EP disclosed
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 WO disclosed