SCHEMBL13984817

SCHEMBL13984817

COC(=O)C(NC(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.56
▸ EPAS1 Q99814 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ TSHR P16473 2/20 0.52
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50

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
SCHEMBL13267169 1.00 HIF1A (0.56) HIF1AEPAS1ALDH1A1HDAC1KMT2A
SCHEMBL13244790 0.91 HIF1A (0.53) HIF1AEPAS1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL15382489 0.91 HIF1A (0.53) HIF1AEPAS1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13984818 0.87 HIF1A (0.57) HIF1AEPAS1ALDH1A1HDAC1SMN1; SMN2
SCHEMBL13267167 0.87 HIF1A (0.57) HIF1AEPAS1ALDH1A1HDAC1SMN1; SMN2
SCHEMBL1109094 0.81 KMT2A (0.59) HIF1AEPAS1HDAC1KMT2ASMN1; SMN2
SCHEMBL13267242 0.81 KMT2A (0.56) HIF1AEPAS1HDAC1KMT2ASMN1; SMN2
SCHEMBL14400805 0.81 KMT2A (0.59) HIF1AEPAS1HDAC1KMT2ASMN1; SMN2
SCHEMBL13266877 0.80 SMN1; SMN2 (0.56) HIF1AEPAS1KMT2ASMN1; SMN2MAPK1
SCHEMBL13266878 0.80 KMT2A (0.55) HIF1AEPAS1HDAC1KMT2ASMN1; 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 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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