SCHEMBL14028703

SCHEMBL14028703

N=C(N)c1ccc(-c2cn3c(n2)CCC(c2ccc(/C(N)=N/O)cc2)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ITGB3 P05106 6/20 0.33
▸ ITGA2B P08514 6/20 0.33
▸ BRAF P15056 1/20 0.32
▸ MAPK3 P27361 1/20 0.32
▸ WDR5 P61964 3/20 0.32
▸ SYK P43405 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ KDM4E B2RXH2 1/20 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
Acetic Acid SCHEMBL4952305 0.86 ITGB3 (0.41) ITGB3ITGA2BWDR5
SCHEMBL4950301 0.77 LMNA (0.42) KMT2ALMNANPC1HTTRAB9A
Acetic Acid SCHEMBL4952218 0.72 ITGB3 (0.41) LMNANPC1HTTRAB9AITGB3
SCHEMBL14046570 0.71 MEN1 (0.39) MAPK1MEN1KMT2A
SCHEMBL4951689 0.69 WDR5 (0.38) LMNANPC1HTTRAB9AITGB3
SCHEMBL14028701 0.69 ALDH1A3 (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4947968 0.67 NQO2 (0.47) ALDH1A1
SCHEMBL14028700 0.66 WDR5 (0.50) MEN1KMT2ALMNANPC1HTT
Acetic Acid SCHEMBL4951340 0.65 NQO2 (0.40) LMNANPC1HTTRAB9AITGB3
Acetic Acid SCHEMBL4952431 0.63 NQO2 (0.53) NPC1ITGB3ITGA2BALDH1A1

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-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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