SCHEMBL5389049

SCHEMBL5389049

COB(O)c1ccccc1-c1nnn(C(C)Cc2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
RECQL P46063 1/20 0.34
LTA4H P09960 2/20 0.33
SLC6A3 Q01959 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5983929 0.91 TDP1 (0.36) TDP1NPSR1RECQLLTA4HSLC6A3
SCHEMBL5394050 0.90 TDP1 (0.40) TDP1LTA4HSLC6A3RAB9ATP53
SCHEMBL5389044 0.77 ESR1 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8783148 0.76 ABCG2 (0.39) TDP1NPSR1RECQLLTA4HSLC6A3
SCHEMBL5389054 0.74 MEN1 (0.39) NPSR1RECQLLTA4HSLC6A3NPC1
SCHEMBL4990435 0.72 SMN1; SMN2 (0.36) NPSR1RECQLNPC1RAB9AL3MBTL1
SCHEMBL8783164 0.71 TDP1 (0.39) TDP1LTA4HSLC6A3MEN1KMT2A
SCHEMBL8783257 0.68 TDP1 (0.36) TDP1LTA4HSLC6A3NPC1RAB9A
SCHEMBL5400790 0.68 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL5983933 0.66 MEN1 (0.40) NPSR1RECQLLTA4HSLC6A3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501770-A 2007-02-01 JP claimed
EP-1660463-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE DERIVATIVES Dipharma S.p.A. (IT) 2006-05-31 EP claimed
WO-2005014560-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE DERIVATIVES DIPHARMA S.P.A. (IT) 2005-02-17 WO claimed
EP-1660463-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE DERIVATIVES Dipharma S.p.A. (IT) 2006-05-31 EP disclosed
WO-2005014560-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE DERIVATIVES DIPHARMA S.P.A. (IT) 2005-02-17 WO disclosed