SCHEMBL14028700

SCHEMBL14028700

N=C(N)C1CCc2nc(-c3ccccc3)cn2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 8/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ P2RX7 Q99572 2/20 0.41
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL4950301 0.86 LMNA (0.42) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL463267 0.84 WDR5 (0.52) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL4951689 0.83 WDR5 (0.38) WDR5ALDH1A1NPC1RAB9ALMNA
Acetic Acid SCHEMBL4952218 0.83 ITGB3 (0.41) WDR5ALDH1A1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL440262 0.83 WDR5 (0.51) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL407431 0.79 WDR5 (0.47) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL14305141 0.77 WDR5 (0.45) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL5311345 0.70 WDR5 (0.41) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL989261 0.67 WDR5 (1.00) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL4839937 0.66 WDR5 (0.90) WDR5ALDH1A1NPC1RAB9ALMNA

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
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 — — US disclosed
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 — — US disclosed
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