Sugi Predict

Sugi Predict / Compounds / SCHEMBL2367518

SCHEMBL2367518

SCHEMBL2367518

CN(C)C(On1nnc2ccc(Cl)cc21)=[N+](C)C.CN(C)C(On1nnc2ccc(Cl)cc21)=[N+](C)C.CN(C)C(On1nnc2ccc(Cl)cc21)=[N+](C)C.CN(C)C(On1nnc2ccc(Cl)cc21)=[N+](C)C.CN(C)C(On1nnc2ccc(Cl)cc21)=[N+](C)C.CN(C)C(On1nnc2ccc(Cl)cc21)=[N+](C)C.CN(C)C(On1nnc2ccc(Cl)cc21)=[N+](C)C.CN(C)C(On1nnc2ccc(Cl)cc21)=[N+](C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ HDAC3 O15379 3/20 0.34
▸ HDAC4 P56524 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC7 Q8WUI4 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC10 Q969S8 3/20 0.34
▸ HDAC11 Q96DB2 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC9 Q9UKV0 3/20 0.34
▸ HDAC5 Q9UQL6 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL15771520 1.00 KMT2A (0.39) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL15771526 0.95 KMT2A (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
Fluoride Ion SCHEMBL29715858 0.94 KMT2A (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL526205 0.93 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29551956 0.93 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16322925 0.91 KMT2A (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL15771522 0.91 KMT2A (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1069721 0.91 KMT2A (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL19894763 0.91 KMT2A (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29350952 0.91 KMT2A (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 — — EP disclosed
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 — — EP disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 — — WO disclosed
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