SCHEMBL13601127

SCHEMBL13601127

Bc1cccc(C2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
TUBA1B P68363 1/20 0.59
TUBA4A P68366 1/20 0.59
TUBB4B P68371 1/20 0.59
TUBB3 Q13509 1/20 0.59
TUBB2A Q13885 1/20 0.59
TUBB8 Q3ZCM7 1/20 0.59
TUBA3E Q6PEY2 1/20 0.59
TUBA1A Q71U36 1/20 0.59
TUBA1C Q9BQE3 1/20 0.59
TUBB6 Q9BUF5 1/20 0.59
TUBB2B Q9BVA1 1/20 0.59
TUBB1 Q9H4B7 1/20 0.59
MYB P10242 11/20 0.48
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL5959426 0.88 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5997454 0.86 MPO (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4426296 0.84 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5999326 0.83 MYB (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4426407 0.80 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5959400 0.79 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5959464 0.78 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4427082 0.78 TUBB4A (0.87) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1751191 0.74 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5959389 0.74 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
EP-1392683-B1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THEIR USE AS ANTICANCER AGENTS CYTOVIA INC (US) 2009-12-02 EP disclosed