SCHEMBL5813055

SCHEMBL5813055

CCOC(=O)c1[nH]c2ccccc2c1Sc1ccc(OC)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 14/20 0.80
TUBB P07437 14/20 0.80
TUBA3C P0DPH7 14/20 0.80
TUBA1B P68363 14/20 0.80
TUBA4A P68366 14/20 0.80
TUBB4B P68371 14/20 0.80
TUBB3 Q13509 14/20 0.80
TUBB2A Q13885 14/20 0.80
TUBB8 Q3ZCM7 14/20 0.80
TUBA3E Q6PEY2 14/20 0.80
TUBA1A Q71U36 14/20 0.80
TUBA1C Q9BQE3 14/20 0.80
TUBB6 Q9BUF5 14/20 0.80
TUBB2B Q9BVA1 14/20 0.80
TUBB1 Q9H4B7 14/20 0.80
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
HPGD P15428 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL5808232 0.89 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22802275 0.87 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21465492 0.84 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812739 0.83 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812513 0.82 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812212 0.81 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812329 0.81 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7672368 0.80 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6857725 0.80 HPGD (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2885143 0.79 HPGD (0.61) 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