SCHEMBL5485359

SCHEMBL5485359

COc1ccc(C(=O)c2sc(Nc3ccc([N+]4(C5CCNCC5)CCCC(O)C4)cc3)nc2N)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB8B A6NNZ2 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 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
TUBB6 Q9BUF5 1/20 0.53
TUBB2B Q9BVA1 1/20 0.53
TUBB1 Q9H4B7 1/20 0.53
SPHK2 Q9NRA0 1/20 0.53
SPHK1 Q9NYA1 1/20 0.53
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPC1 O15118 3/20 0.47
CDK5 Q00535 8/20 0.44
CDK5R1 Q15078 8/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
CCNA2 P20248 3/20 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
SCHEMBL5492687 1.00 TUBB8B (0.53) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL5483911 0.91 CDK5 (0.44) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL5481882 0.88 NPC1 (0.54) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL5484920 0.87 CDK5 (0.47) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL5488900 0.86 CDK5 (0.57) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL5488707 0.86 TUBB8B (0.43) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL5485272 0.85 CCNA2 (0.47) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL5479292 0.85 NPC1 (0.47) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL5479515 0.85 NPC1 (0.46) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL5482193 0.84 CDK4 (0.54) TUBB8BTUBB4ATUBBTUBB4BTUBB3

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-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 EP claimed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 WO claimed