SCHEMBL5154948

SCHEMBL5154948

N=C(N)c1ccc(NC(=O)NCC(=O)NCCc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 2/20 0.42
CNR1 P21554 1/20 0.41
MMP3 P08254 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
CA2 P00918 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
EPHX1 P07099 1/20 0.41
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL5182867 0.85 CNR1 (0.50) CNR1ALDH1A1CA2F2POLB
SCHEMBL5674444 0.79 F7 (0.64) ST14SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL4962106 0.78 RECQL (0.50) SMN1; SMN2HPGDL3MBTL1POLB
SCHEMBL4961414 0.78 F7 (0.67) NPC1CNR1F2POLBF7
SCHEMBL4958063 0.77 RAB9A (0.49) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL4959775 0.77 F7 (0.66) F2F7
SCHEMBL4960599 0.77 F7 (0.45) ALDH1A1F2F7
SCHEMBL4960233 0.76 F7 (0.50) F2F7
SCHEMBL4960568 0.76 HPGD (0.54) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4958068 0.75 F7 (0.48) F2F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856091-A1 COMPOUNDS FOR STABILIZING FACTOR VII POLYPEPTIDE FORMULATIONS Novo Nordisk Health Care AG (CH) 2007-11-21 EP disclosed
WO-2006089953-A1 COMPOUNDS FOR STABILIZING FACTOR VII POLYPEPTIDE FORMULATIONS NOVO NORDISK HEALTH CARE AG (CH) 2006-08-31 WO disclosed