SCHEMBL17507484

SCHEMBL17507484

CNc1cc(CNc2cc(OC)c(OC)c(OC)c2)ccc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52
TUBB3 Q13509 2/20 0.52
TUBB2A Q13885 2/20 0.52
TUBB8 Q3ZCM7 2/20 0.52
TUBA3E Q6PEY2 2/20 0.52
TUBA1A Q71U36 2/20 0.52
TUBA1C Q9BQE3 2/20 0.52
TUBB6 Q9BUF5 2/20 0.52
TUBB2B Q9BVA1 2/20 0.52
TUBB1 Q9H4B7 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.50

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
SCHEMBL12435945 0.85 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29066083 0.84 POLB (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1998287 0.81 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8485231 0.79 HTR7 (0.58) POLBMAPTKDM4EALDH1A1TDP1
SCHEMBL9190510 0.78 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12963403 0.78 TUBB1 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6815042 0.77 MAPT (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11935942 0.77 CYP19A1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5841682 0.76 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12933316 0.75 TUBB4A (0.54) 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-2351731-B1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE INST MED BIOTECHNOLOGY CAMS (CN) 2016-02-10 EP disclosed