SCHEMBL5778210

SCHEMBL5778210

O=C(C(=O)N(C(=O)Cc1ccccc1)c1cccc2cccnc12)c1cn(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
CNR2 P34972 4/20 0.45
ADORA1 P30542 2/20 0.45
NPSR1 Q6W5P4 5/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL6195457 0.89 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5335745 0.84 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5569338 0.77 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5573030 0.76 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5572482 0.75 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5339407 0.75 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5569320 0.75 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5570388 0.74 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5334722 0.73 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5981609 0.71 TUBB4A (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651600-A2 NOVEL N -SUBSTITUTED INDOLYL-3-GLYOXYLIC ACID AMIDES, USE THEREOF AS A MEDICAMENT, AND METHOD FOR THE PRODUCTION THEREOF Zentaris GmbH (DE) 2006-05-03 EP claimed
WO-2005014542-A2 NOVEL N-SUBSTITUTED INDOLYL-3-GLYOXYLIC ACID AMIDES, USE THEREOF AS A MEDICAMENT AGAINST CANCER, AND METHOD FOR THE PRODUCTION THEREOF ZENTARIS GMBH (DE) 2005-02-17 WO claimed
EP-1651600-A2 NOVEL N -SUBSTITUTED INDOLYL-3-GLYOXYLIC ACID AMIDES, USE THEREOF AS A MEDICAMENT, AND METHOD FOR THE PRODUCTION THEREOF Zentaris GmbH (DE) 2006-05-03 EP disclosed
WO-2005014542-A2 NOVEL N-SUBSTITUTED INDOLYL-3-GLYOXYLIC ACID AMIDES, USE THEREOF AS A MEDICAMENT AGAINST CANCER, AND METHOD FOR THE PRODUCTION THEREOF ZENTARIS GMBH (DE) 2005-02-17 WO disclosed