SCHEMBL21250472

SCHEMBL21250472

CCCC[n+]1ccn(CCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 1/20 0.43
▸ EEF2K O00418 2/20 0.41
▸ EEF2 P13639 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ ITK Q08881 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5291587 0.87 MEN1 (0.49) PON1EEF2KEEF2MEN1KMT2A
SCHEMBL1076866 0.86 KMT2A (0.42) MEN1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL9661522 0.85 MEN1 (0.47) PON1EEF2KEEF2MEN1KMT2A
Hydrochloric Acid SCHEMBL9664604 0.85 MEN1 (0.47) PON1EEF2KEEF2MEN1KMT2A
SCHEMBL5304274 0.85 KDM4E (0.40) PON1EEF2KEEF2MEN1KMT2A
Iodide SCHEMBL9160116 0.84 KMT2A (0.41) MEN1KMT2ACA1CA2
Bromide SCHEMBL1077950 0.84 KMT2A (0.43) MEN1KMT2ACA1CA2
SCHEMBL27681815 0.84 KMT2A (0.41) PON1MEN1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL23698411 0.84 PON1 (0.41) PON1EEF2KEEF2MEN1KMT2A
Bromide SCHEMBL15817933 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10378046-B2 Method of targeting mismatched DNA using d8 square planar metal complexes THE UNIVERSITY OF HONG KONG (CN) 2019-08-13 — — US disclosed
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