SCHEMBL4584179

SCHEMBL4584179

CN(N=Cc1n(C)c2ccccc2[n+]1CCCCCCn1cc[n+](CCCCn2ccnc2)c1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TBXAS1 P24557 5/20 0.32

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
Bromide SCHEMBL3937837 0.99 CYP24A1 (0.33) CYP24A1MEN1LMNAMAPK1KMT2A
SCHEMBL13716916 0.93 MEN1 (0.39) CYP24A1MEN1LMNAMAPK1KMT2A
Hydrochloric Acid SCHEMBL3929428 0.90 — —
SCHEMBL4583553 0.89 — —
SCHEMBL4583551 0.89 — —
Hydrochloric Acid SCHEMBL3938803 0.85 MEN1 (0.35) MEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL3938795 0.85 MEN1 (0.35) MEN1MAPK1KMT2A
SCHEMBL4616981 0.85 TBXAS1 (0.34) CYP24A1MEN1LMNAMAPK1KMT2A
SCHEMBL4616984 0.85 TBXAS1 (0.34) CYP24A1MEN1LMNAMAPK1KMT2A
SCHEMBL4584737 0.84 TBXAS1 (0.37) MEN1LMNAMAPK1KMT2ATBXAS1

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-1980558-A1 Polycationic monochromophoric compounds of hydrazone type, dyeing compositions comprising same and dyeing method L'Oréal (FR) 2008-10-15 — — EP disclosed
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