SCHEMBL5045402

SCHEMBL5045402

Bc1cc(C2C(C#N)=C(N)Oc3c2ccc2c(O)cccc32)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYB P10242 16/20 0.67
TUBB4A P04350 2/20 0.55
TUBB P07437 2/20 0.55
TUBA3C P0DPH7 2/20 0.55
TUBA1B P68363 2/20 0.55
TUBA4A P68366 2/20 0.55
TUBB4B P68371 2/20 0.55
TUBB3 Q13509 2/20 0.55
TUBB2A Q13885 2/20 0.55
TUBB8 Q3ZCM7 2/20 0.55
TUBA3E Q6PEY2 2/20 0.55
TUBA1A Q71U36 2/20 0.55
TUBA1C Q9BQE3 2/20 0.55
TUBB6 Q9BUF5 2/20 0.55
TUBB2B Q9BVA1 2/20 0.55
TUBB1 Q9H4B7 2/20 0.55
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL4541136 0.90 TUBB4A (0.69) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5044963 0.87 MYB (0.89) MYB
SCHEMBL14319090 0.82 MYB (0.62) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4539906 0.81 TUBB4A (0.65) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4540411 0.81 TUBB4A (0.72) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4335346 0.80 MYB (1.00) MYB
SCHEMBL4537606 0.80 TUBB4A (0.71) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4535631 0.78 TUBB4A (0.68) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5045687 0.77 MYB (0.61) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14319091 0.77 MYB (0.51) MYBTUBB4ATUBBTUBA3CTUBA1B

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
WO-2012062905-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed
WO-2012062901-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed