SCHEMBL13984586

SCHEMBL13984586

O=CN(O)CC(CO)NC(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 0.47
▸ EPAS1 Q99814 3/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 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
SCHEMBL3012858 0.92 — —
SCHEMBL15382443 0.82 HDAC1 (0.53) HIF1AEPAS1HDAC1NPC1RAB9A
SCHEMBL13267211 0.79 KMT2A (0.60) HIF1AEPAS1NPC1RAB9AALDH1A1
SCHEMBL3011300 0.76 MMP13 (0.51) HIF1AEPAS1
SCHEMBL13267170 0.75 HRH3 (0.50) NPC1RAB9AALDH1A1KDM4EHRH3
SCHEMBL3015924 0.73 KMT2A (0.57) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL28162775 0.71 KMT2A (0.58) HIF1AEPAS1NPC1RAB9AALDH1A1
SCHEMBL3012862 0.71 ACACB (0.42) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL1109236 0.71 HDAC1 (0.53) HIF1AEPAS1HDAC1NPC1RAB9A
SCHEMBL14400854 0.70 KMT2A (0.51) HIF1AEPAS1HDAC1NPC1HRH3

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-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — WO disclosed
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