SCHEMBL5810693

SCHEMBL5810693

COC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1S(=O)(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 8/20 0.65
TUBB P07437 8/20 0.65
TUBA3C P0DPH7 8/20 0.65
TUBA1B P68363 8/20 0.65
TUBA4A P68366 8/20 0.65
TUBB4B P68371 8/20 0.65
TUBB3 Q13509 8/20 0.65
TUBB2A Q13885 8/20 0.65
TUBB8 Q3ZCM7 8/20 0.65
TUBA3E Q6PEY2 8/20 0.65
TUBA1A Q71U36 8/20 0.65
TUBA1C Q9BQE3 8/20 0.65
TUBB6 Q9BUF5 8/20 0.65
TUBB2B Q9BVA1 8/20 0.65
TUBB1 Q9H4B7 8/20 0.65
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
PKM P14618 2/20 0.46
MEN1 O00255 1/20 0.46
NPY1R P25929 1/20 0.46

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
SCHEMBL5811107 0.83 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5806979 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4403569 0.77 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13684493 0.74 ALDH1A1 (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4544037 0.74 ALDH1A1 (0.53) ALDH1A1POLBPKMMEN1NPY1R
SCHEMBL4543289 0.71 MAPT (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18092632 0.70 MAPT (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4405258 0.69 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5798554 0.68 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4029753 0.68 TUBB4A (0.58) 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
WO-2006041961-A1 ARYLTHIOINDOLE TUBULIN POLYMERIZATION INHIBITORS AND METHODS OF TREATING OR PREVENTING CANCER USING SAME GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTHAND HUMAN SERVICES (US) 2006-04-20 WO disclosed