SCHEMBL28111449

SCHEMBL28111449

COc1ccc(C(C#N)=Cc2cc(OC)ccc2OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.64
NQO1 P15559 1/20 0.64
TUBB4A P04350 2/20 0.57
TUBB P07437 2/20 0.57
TUBA3C P0DPH7 2/20 0.57
TUBA1B P68363 2/20 0.57
TUBA4A P68366 2/20 0.57
TUBB4B P68371 2/20 0.57
TUBB3 Q13509 2/20 0.57
TUBB2A Q13885 2/20 0.57
TUBB8 Q3ZCM7 2/20 0.57
TUBA3E Q6PEY2 2/20 0.57
TUBA1A Q71U36 2/20 0.57
TUBA1C Q9BQE3 2/20 0.57
TUBB6 Q9BUF5 2/20 0.57
TUBB2B Q9BVA1 2/20 0.57
TUBB1 Q9H4B7 2/20 0.57
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54

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
SCHEMBL12487052 0.92 MAPT (0.56) NQO2NQO1TUBB4ATUBBTUBA3C
SCHEMBL12487051 0.92 MAPT (0.56) NQO2NQO1TUBB4ATUBBTUBA3C
SCHEMBL11833187 0.92 MAPT (0.59) NQO2NQO1TUBB4ATUBBTUBA3C
SCHEMBL829252 0.91 NQO2 (0.68) NQO2NQO1TUBB4ATUBBTUBA3C
SCHEMBL12519496 0.90 NQO2 (0.56) NQO2NQO1TUBB4ATUBBTUBA3C
SCHEMBL13485326 0.87 NQO2 (0.62) NQO2NQO1TUBB4ATUBBTUBA3C
SCHEMBL12487115 0.86 TLR9 (0.58) NQO2NQO1TUBB4ATUBBTUBA3C
SCHEMBL12487118 0.86 TLR9 (0.58) NQO2NQO1TUBB4ATUBBTUBA3C
SCHEMBL28686988 0.85 NQO2 (0.49) NQO2NQO1TUBB4ATUBBTUBA3C
SCHEMBL14680219 0.81 CYP1A2 (0.57) KDM4EMAPTTHRBPDE4APDE4B

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
CN-103765513-B Optical information storage medium 凯斯西储大学 2016-10-26 CN disclosed