SCHEMBL3824082

SCHEMBL3824082

O=C(Nc1ccncc1)C(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53
TUBB2B Q9BVA1 1/20 0.53
TUBB1 Q9H4B7 1/20 0.53
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
YES1 P07947 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL4029345 0.91 POLB (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5535769 0.89 GABRP (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5537813 0.85 ALOX5 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5532781 0.82 NPC1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5535174 0.81 MAPT (0.46) NPC1RAB9AKMT2AMEN1GABRP
SCHEMBL8805727 0.81 RAB9A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5531206 0.80 NPC1 (0.50) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL5532784 0.78 PDE4A (0.52) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL4754718 0.77 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5533925 0.76 MAPT (0.46) KMT2AMEN1POLBNAMPTLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809279-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2007-07-25 EP claimed
WO-2006052712-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2006-05-18 WO claimed
WO-2000067802-A1 FATTY ACID-N-SUBSTITUTED INDOL-3-GLYOXYL-AMIDE COMPOSITIONS AND USES THEREOF PROTARGA, INC. (US) 2000-11-16 WO claimed
EP-2091532-A1 USE OF INDOLYL-3-GLYOXYLIC ACID DERIVATIVES INCLUDING INDIBULIN, ALONE OR IN COMBINATION WITH FURTHER AGENTS FOR TREATING CANCER ZIOPHARM ONCOLOGY, INC. (US) 2009-08-26 EP disclosed
WO-2008066807-A1 USE OF INDOLYL-3-GLYOXYLIC ACID DERIVATIVES INCLUDING INDIBULIN, ALONE OR IN COMBINATION WITH FURTHER AGENTS FOR TREATING CANCER ZIOPHARM ONCOLOGY, INC. (US) 2008-06-05 WO disclosed
EP-1809279-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2007-07-25 EP disclosed
WO-2006052712-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2006-05-18 WO disclosed
WO-2000067802-A1 FATTY ACID-N-SUBSTITUTED INDOL-3-GLYOXYL-AMIDE COMPOSITIONS AND USES THEREOF PROTARGA, INC. (US) 2000-11-16 WO disclosed