SCHEMBL13984667

SCHEMBL13984667

COC(=O)C(NC(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ KMT2A Q03164 2/20 0.55
▸ HIF1A Q16665 3/20 0.55
▸ EPAS1 Q99814 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ RAB9A P51151 4/20 0.53
▸ TSHR P16473 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ STAT3 P40763 1/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ TP53 P04637 1/20 0.52
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51
▸ SAE1 Q9UBE0 1/20 0.51
▸ UBA2 Q9UBT2 1/20 0.51

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
SCHEMBL13266877 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KMT2AHIF1AEPAS1
SCHEMBL13266952 0.97 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1KMT2AHIF1AEPAS1
SCHEMBL13984746 0.93 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1KMT2AHIF1AEPAS1
SCHEMBL13266891 0.93 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1KMT2AHIF1AEPAS1
SCHEMBL3020468 0.91 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1KMT2AHIF1AEPAS1
SCHEMBL3020471 0.91 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1KMT2AHIF1AEPAS1
SCHEMBL13266873 0.90 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1KMT2AHIF1AEPAS1
SCHEMBL3002329 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1KMT2AHIF1AEPAS1
SCHEMBL13984670 0.86 KDM4E (0.55) SMN1; SMN2MAPK1KMT2AHIF1AEPAS1
SCHEMBL13266889 0.86 KDM4E (0.55) SMN1; SMN2MAPK1KMT2AHIF1AEPAS1

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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