SCHEMBL5537813

SCHEMBL5537813

O=C(Nc1ccncc1)C(=O)c1c(Cc2ccccc2Cl)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
TYK2 P29597 4/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
CYP3A4 P08684 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41

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
SCHEMBL3824082 0.85 TUBB4A (0.53) ALOX5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4029345 0.84 POLB (0.45) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5532781 0.82 NPC1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5535769 0.81 GABRP (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5531206 0.73 NPC1 (0.50) POLBNPC1RAB9AMEN1MAPT
SCHEMBL5528306 0.72 KMT2A (0.47) POLBMEN1MAPTKMT2APARP14
SCHEMBL5535174 0.72 MAPT (0.46) ALOX5POLBNPC1RAB9AMEN1
SCHEMBL5528849 0.72 MEN1 (0.42) POLBNPC1RAB9AMEN1MAPT
SCHEMBL3847245 0.70 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5532784 0.70 PDE4A (0.52) NPC1RAB9AMEN1KMT2A

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
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