SCHEMBL24892136

SCHEMBL24892136

N=C(N)N1CC(c2ccc(NC(=O)c3cc(C(=O)Nc4ccc(C5CN(C(=N)N)C5)cc4)[nH]n3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACR P10323 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL30182236 0.93 KDM4E (0.39) ACR
SCHEMBL24892002 0.81 HDAC3 (0.55) —
SCHEMBL24891979 0.80 CHIA (0.47) MEN1KMT2A
SCHEMBL24892064 0.80 — —
SCHEMBL24892014 0.75 KDM1A (0.53) —
Trifluoroacetic Acid SCHEMBL30182338 0.74 SLC2A1 (0.44) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL30182557 0.74 HDAC3 (0.47) —
Trifluoroacetic Acid SCHEMBL30182694 0.73 — —
SCHEMBL30180974 0.70 MAPT (0.47) ACRMEN1KMT2A
SCHEMBL24891988 0.69 MAPKAPK2 (0.57) —

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 — — WO claimed
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 — — WO disclosed
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