SCHEMBL9967355

SCHEMBL9967355

CCCCCCNC(=O)c1ncccc1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALOX12 P18054 1/20 0.51
ASAH1 Q13510 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MLYCD O95822 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 3/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL31500526 0.99 NAAA (0.52) NAAAL3MBTL1KDM4EALOX12ASAH1
SCHEMBL5264599 0.94 HTT (0.53) NAAAL3MBTL1SMN1; SMN2HPGDHTT
SCHEMBL9626528 0.86 NAAA (0.61) NAAAL3MBTL1KDM4EALOX12ASAH1
SCHEMBL14284344 0.86 NAAA (0.61) NAAAL3MBTL1KDM4EALOX12ASAH1
SCHEMBL9626697 0.86 NAAA (0.61) NAAAL3MBTL1KDM4EALOX12ASAH1
SCHEMBL9628271 0.86 NAAA (0.61) NAAAL3MBTL1KDM4EALOX12ASAH1
SCHEMBL1423557 0.84 EGLN2 (0.60) NAAAL3MBTL1KDM4EALOX12ASAH1
SCHEMBL29010716 0.83 NAAA (0.52) NAAAL3MBTL1KDM4EALOX12ASAH1
SCHEMBL1423213 0.83 NAAA (0.51) NAAAL3MBTL1KDM4EALOX12ASAH1
SCHEMBL1423157 0.83 HPGD (0.55) NAAAL3MBTL1KDM4EALOX12ASAH1

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-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 WO disclosed