SCHEMBL5809696

SCHEMBL5809696

COc1cc(Sc2c[nH]c3ccc([N+](=O)[O-])cc23)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 20/20 1.00
TUBB P07437 20/20 1.00
TUBA3C P0DPH7 20/20 1.00
TUBA1B P68363 20/20 1.00
TUBA4A P68366 20/20 1.00
TUBB4B P68371 20/20 1.00
TUBB3 Q13509 20/20 1.00
TUBB2A Q13885 20/20 1.00
TUBB8 Q3ZCM7 20/20 1.00
TUBA3E Q6PEY2 20/20 1.00
TUBA1A Q71U36 20/20 1.00
TUBA1C Q9BQE3 20/20 1.00
TUBB6 Q9BUF5 20/20 1.00
TUBB2B Q9BVA1 20/20 1.00
TUBB1 Q9H4B7 20/20 1.00
IDO1 P14902 1/20 0.65

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
SCHEMBL28061063 0.81 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812276 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5809417 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5807181 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5808034 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5811687 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812015 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2552819 0.77 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28679306 0.77 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11611676 0.76 TUBB4A (0.60) 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