SCHEMBL996932

SCHEMBL996932

CCCOc1cc2c(cc1C(=O)/C=C/c1ccc(OC)c(N)c1)OCCS2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.54
TUBB4A P04350 2/20 0.54
TUBB P07437 2/20 0.54
TUBA3C P0DPH7 2/20 0.54
TUBA1B P68363 2/20 0.54
TUBA4A P68366 2/20 0.54
TUBB4B P68371 2/20 0.54
TUBB3 Q13509 2/20 0.54
TUBB2A Q13885 2/20 0.54
TUBB8 Q3ZCM7 2/20 0.54
TUBA3E Q6PEY2 2/20 0.54
TUBA1A Q71U36 2/20 0.54
TUBA1C Q9BQE3 2/20 0.54
TUBB6 Q9BUF5 2/20 0.54
TUBB2B Q9BVA1 2/20 0.54
KDM4E B2RXH2 2/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL996935 1.00 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997101 0.97 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997100 0.97 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL998219 0.90 TUBB1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL998217 0.90 TUBB1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL996726 0.90 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL996725 0.90 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997184 0.88 TUBB4A (0.66) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997181 0.88 TUBB4A (0.66) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL994242 0.87 TUBB1 (0.55) 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
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO claimed
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO disclosed