SCHEMBL23922712

SCHEMBL23922712

CC(C)(C)OC(=O)NCCCN1c2ccc(-c3cc4ccccc4n3C(=O)O)cc2Sc2ccc(C(C)(C)C)cc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.45
NR1H3 Q13133 1/20 0.38
PTGS2 P35354 1/20 0.37
BRD4 O60885 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
SCHEMBL19744451 0.92 NR1H2 (0.46) NR1H2NR1H3PTGS2
SCHEMBL19747650 0.89 NR1H2 (0.45) NR1H2NR1H3PTGS2
SCHEMBL21196724 0.86 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL21214132 0.83 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL21196617 0.83 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL19744464 0.78 NR1H2 (0.46) NR1H2NR1H3
SCHEMBL23936708 0.73 PTGS2 (0.60) PTGS2
SCHEMBL21196535 0.73 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL19744490 0.72 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL19745891 0.72 NR1H2 (0.55) NR1H2NR1H3

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
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed