SCHEMBL3394353

SCHEMBL3394353

COc1ccc(Nc2nc(C(N)=O)c(Nc3ccc(OCCO)c([N+](=O)[O-])c3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 13/20 0.49
MAPT P10636 3/20 0.45
TUBB8B A6NNZ2 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
TP53 P04637 1/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL2367445 0.89 TNIK (0.58) TNIKMAPTTP53
SCHEMBL2367114 0.80 TNIK (0.61) TNIKMAPTTP53ALDH1A1
SCHEMBL2366707 0.77 TNIK (0.62) TNIKMAPTTP53
SCHEMBL2371218 0.75 TNIK (0.57) TNIKMAPTTUBB8BTUBB4ATUBB
SCHEMBL3396902 0.75 TNIK (0.69) TNIKMAPTTP53
SCHEMBL13333398 0.75 TNIK (0.69) TNIKMAPTTP53
SCHEMBL2367226 0.74 TNIK (0.61) TNIKMAPTTP53ALDH1A1HPGD
SCHEMBL2367413 0.74 TNIK (0.63) TNIKMAPTTP53ALDH1A1HPGD
SCHEMBL2367058 0.74 TNIK (0.60) TNIKMAPTTP53
SCHEMBL15546809 0.73 TNIK (0.60) TNIKMAPTALDH1A1NPC1RAB9A

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-2010064111-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI (JP) 2010-06-10 WO disclosed