SCHEMBL27042007

SCHEMBL27042007

CC(C)n1ccc(N)c(N)c1=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.31
PTGS2 P35354 1/20 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
SCHEMBL24019686 0.82 SMN1; SMN2 (0.34) BCHEPTGS2
SCHEMBL20689212 0.80 ADORA2A (0.33)
SCHEMBL20087283 0.77 ATAD2 (0.32)
SCHEMBL15803906 0.75 PTGS2 (0.38) BCHEPTGS2
SCHEMBL30349861 0.72 PARP1 (0.47)
SCHEMBL17464957 0.68 TDP2 (0.35)
SCHEMBL16166662 0.67 BRPF1 (0.37)
SCHEMBL30349862 0.67 BRPF1 (0.37)
SCHEMBL25405013 0.67 PRKCI (0.40)
SCHEMBL3188011 0.67 KDM4E (0.39)

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
WO-2023250157-A9 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2024-01-25 WO disclosed
WO-2023250157-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2023-12-28 WO disclosed