SCHEMBL6014322

SCHEMBL6014322

C=CCOc1c(Br)cc(C2C(C#N)=C(N)Oc3cc(O)c(O)cc32)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYB P10242 5/20 0.56
TUBB4A P04350 3/20 0.55
TUBB P07437 3/20 0.55
TUBA3C P0DPH7 3/20 0.55
TUBA1B P68363 3/20 0.55
TUBA4A P68366 3/20 0.55
TUBB4B P68371 3/20 0.55
TUBB3 Q13509 3/20 0.55
TUBB2A Q13885 3/20 0.55
TUBB8 Q3ZCM7 3/20 0.55
TUBA3E Q6PEY2 3/20 0.55
TUBA1A Q71U36 3/20 0.55
TUBA1C Q9BQE3 3/20 0.55
TUBB6 Q9BUF5 3/20 0.55
TUBB2B Q9BVA1 3/20 0.55
TUBB1 Q9H4B7 3/20 0.55
HTT P42858 2/20 0.52
MITF O75030 1/20 0.52
RAB9A P51151 1/20 0.52
PAX8 Q06710 1/20 0.52

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
SCHEMBL4531879 0.88 MYB (0.65) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5048290 0.88 HTT (0.70) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6014321 0.82 MEN1 (0.43) MYBHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6014204 0.79 MYB (0.89) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4328410 0.76 TUBB4A (0.75) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15363961 0.74 HTT (0.86) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4535837 0.74 TUBB4A (0.69) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1751160 0.74 SMN1; SMN2 (0.85) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4322223 0.74 TUBB4A (0.78) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4319503 0.73 TUBB4A (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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