SCHEMBL29844599

SCHEMBL29844599

CC(O)Cc1cc(Br)nn1C1CC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.30
CSNK2A1 P68400 3/20 0.30

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
SCHEMBL31437859 0.80 ALDH1A1 (0.35)
SCHEMBL31437773 0.80 ALDH1A1 (0.35)
SCHEMBL31437882 0.77 AURKA (0.31)
SCHEMBL31637851 0.76
SCHEMBL31637861 0.73 HCAR3 (0.36) NLRP3
SCHEMBL31437967 0.70 MAPT (0.43)
SCHEMBL29844711 0.70 CSNK2A1 (0.31) CSNK2A1
SCHEMBL31437772 0.69 DHODH (0.34)
SCHEMBL31637799 0.69 SLC6A3 (0.30)
SCHEMBL24783613 0.68

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
CN-114630822-B Biaryl dihydroorotate acid dehydrogenase inhibitors 詹森生物科技公司 2024-10-01 CN disclosed
EP-4041714-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-08-17 EP disclosed