SCHEMBL14290492

SCHEMBL14290492

Cc1nc(-c2ccc(O)cc2)cc(-c2ccc(Cl)cc2Cl)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.48
▸ MEN1 O00255 7/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ADORA1 P30542 6/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ PIM1 P11309 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ BLM P54132 1/20 0.46
▸ HPGD P15428 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ ALOX12 P18054 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL11937157 0.90 ADORA1 (0.47) KMT2AMEN1MAPTSMN1; SMN2ADORA1
SCHEMBL3061882 0.87 ADORA1 (0.44) KMT2AMEN1ADORA1KDM4EPIM1
SCHEMBL14290491 0.82 ADORA1 (0.56) KMT2AMEN1MAPTSMN1; SMN2ADORA1
SCHEMBL3043455 0.81 KMT2A (0.51) KMT2AMEN1MAPTADORA1KDM4E
SCHEMBL3064505 0.81 ADORA1 (0.48) KMT2AMEN1MAPTADORA1KDM4E
SCHEMBL11937167 0.79 ADORA1 (0.46) KMT2AMEN1MAPTADORA1KDM4E
SCHEMBL11937161 0.79 KMT2A (0.51) KMT2AMEN1MAPTADORA1KDM4E
SCHEMBL11937155 0.77 ADORA1 (0.44) KMT2AMEN1MAPTADORA1KDM4E
SCHEMBL1678198 0.76 KDM4E (0.51) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL3369385 0.74 ADORA1 (0.78) KMT2AMEN1ADORA1KDM4EPIM1

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
WO-2008016738-A2 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 — — WO disclosed
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