SCHEMBL5808232

SCHEMBL5808232

CCOC(=O)c1[nH]c2ccccc2c1Sc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 13/20 1.00
TUBB P07437 13/20 1.00
TUBA3C P0DPH7 13/20 1.00
TUBA1B P68363 13/20 1.00
TUBA4A P68366 13/20 1.00
TUBB4B P68371 13/20 1.00
TUBB3 Q13509 13/20 1.00
TUBB2A Q13885 13/20 1.00
TUBB8 Q3ZCM7 13/20 1.00
TUBA3E Q6PEY2 13/20 1.00
TUBA1A Q71U36 13/20 1.00
TUBA1C Q9BQE3 13/20 1.00
TUBB6 Q9BUF5 13/20 1.00
TUBB2B Q9BVA1 13/20 1.00
TUBB1 Q9H4B7 13/20 1.00
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
KDM4E B2RXH2 2/20 0.56
HTR6 P50406 2/20 0.56
ALDH1A1 P00352 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
SCHEMBL22802275 0.90 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5813055 0.89 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25761908 0.88 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812479 0.86 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938353 0.86 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21465493 0.86 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21465547 0.86 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7672368 0.85 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5798445 0.85 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5813513 0.84 TUBB4A (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103288707-B A kind of preparation method of 3-benzene sulfydryl indole derivative ZHEJIANG UNIVERSITY (CN) 2015-12-23 CN disclosed
CN-103288707-A Preparation method of 3-sulfinyl indole derivative UNIV ZHEJIANG 2013-09-11 CN disclosed
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