SCHEMBL5807682

SCHEMBL5807682

COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1cc(OC)c(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 17/20 1.00
TUBB P07437 17/20 1.00
TUBA3C P0DPH7 17/20 1.00
TUBA1B P68363 17/20 1.00
TUBA4A P68366 17/20 1.00
TUBB4B P68371 17/20 1.00
TUBB3 Q13509 17/20 1.00
TUBB2A Q13885 17/20 1.00
TUBB8 Q3ZCM7 17/20 1.00
TUBA3E Q6PEY2 17/20 1.00
TUBA1A Q71U36 17/20 1.00
TUBA1C Q9BQE3 17/20 1.00
TUBB6 Q9BUF5 17/20 1.00
TUBB2B Q9BVA1 17/20 1.00
TUBB1 Q9H4B7 17/20 1.00
IDO1 P14902 1/20 0.54

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
SCHEMBL5811358 0.89 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5808205 0.88 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4405329 0.85 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5798380 0.85 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5807941 0.85 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5807961 0.84 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938425 0.84 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5806979 0.83 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5811812 0.82 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5811956 0.81 TUBB4A (1.00) 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 2 patents. 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 claimed
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