SCHEMBL9925906

SCHEMBL9925906

C=C(NC(C(=O)NO)C(C)O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
SMPD1 P17405 1/20 0.40
DEGS1 O15121 1/20 0.40
SLC2A1 P11166 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NAMPT P43490 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL14400853 0.88 MKNK1 (0.58) MKNK1MKNK2DEGS1NPC1LMNA
SCHEMBL403130 0.88 MKNK1 (0.58) MKNK1MKNK2DEGS1NPC1LMNA
SCHEMBL13267488 0.80 MKNK1 (0.56) MKNK1MKNK2HDAC6SMPD1DEGS1
SCHEMBL13659688 0.79 ADRB3 (0.42) LMNANAMPT
SCHEMBL12320670 0.76
SCHEMBL12320741 0.76
SCHEMBL404445 0.75 HDAC1 (0.46)
SCHEMBL404297 0.74
SCHEMBL10285924 0.74 HDAC1 (0.52) LMNA
SCHEMBL13267214 0.74 HDAC1 (0.58) MKNK2HDAC6

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
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed