SCHEMBL17507494

SCHEMBL17507494

COc1ccc(C(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 6/20 0.65
TUBB4A P04350 5/20 0.65
TUBB P07437 5/20 0.65
TUBA3C P0DPH7 5/20 0.65
TUBA1B P68363 5/20 0.65
TUBA4A P68366 5/20 0.65
TUBB4B P68371 5/20 0.65
TUBB3 Q13509 5/20 0.65
TUBB2A Q13885 5/20 0.65
TUBB8 Q3ZCM7 5/20 0.65
TUBA3E Q6PEY2 5/20 0.65
TUBA1A Q71U36 5/20 0.65
TUBA1C Q9BQE3 5/20 0.65
TUBB6 Q9BUF5 5/20 0.65
TUBB2B Q9BVA1 5/20 0.65
LMNA P02545 4/20 0.58
HTT P42858 3/20 0.58
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 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
SCHEMBL17507466 0.89 TUBB1 (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29236859 0.87 LMNA (0.64) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30969381 0.87 LMNA (0.64) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12435907 0.87 TUBB4A (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29236861 0.84 LMNA (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30969396 0.83 HTT (0.56) TUBB1LMNAHTTALDH1A1NPC1
SCHEMBL29236666 0.83 HTT (0.56) TUBB1LMNAHTTALDH1A1NPC1
SCHEMBL30504089 0.81 SLC22A6 (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29236683 0.81 LMNA (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29236694 0.81 NPC1 (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
US-9688637-B2 3-amidobenzamides and uses thereof for increasing cellular levels of A3G and other A3 family members NORTHWESTERN UNIVERSTIY (US) 2017-06-27 US disclosed
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