SCHEMBL725066

SCHEMBL725066

COc1cc(C(=O)c2c[nH]c([AsH]c3ccccc3)n2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 14/20 0.45
TUBB4A P04350 13/20 0.45
TUBB P07437 13/20 0.45
TUBA3C P0DPH7 13/20 0.45
TUBA1B P68363 13/20 0.45
TUBA4A P68366 13/20 0.45
TUBB4B P68371 13/20 0.45
TUBB3 Q13509 13/20 0.45
TUBB2A Q13885 13/20 0.45
TUBB8 Q3ZCM7 13/20 0.45
TUBA3E Q6PEY2 13/20 0.45
TUBA1A Q71U36 13/20 0.45
TUBA1C Q9BQE3 13/20 0.45
TUBB6 Q9BUF5 13/20 0.45
TUBB2B Q9BVA1 13/20 0.45
EGFR P00533 1/20 0.42
CTSD P07339 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL725347 0.80 TUBB4A (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL723973 0.77 MEN1 (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL770174 0.76 MEN1 (0.52) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL786749 0.76 TUBB1 (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL723242 0.74 EGFR (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4421760 0.74 TUBB4A (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15135710 0.73 MAOB (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3469479 0.73 EGFR (0.47) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30603593 0.73 TUBB4A (0.52) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL805056 0.73 TUBB4A (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027481-A9 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2013-10-10 WO disclosed
EP-2608671-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-07-03 EP disclosed
WO-2012027481-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2012-03-01 WO disclosed