SCHEMBL20142265

SCHEMBL20142265

COc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3)nc2N)cc1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB8B A6NNZ2 1/20 0.84
TUBB4A P04350 1/20 0.84
TUBB P07437 1/20 0.84
TUBB4B P68371 1/20 0.84
TUBB3 Q13509 1/20 0.84
TUBB2A Q13885 1/20 0.84
TUBB8 Q3ZCM7 1/20 0.84
TUBB6 Q9BUF5 1/20 0.84
TUBB2B Q9BVA1 1/20 0.84
TUBB1 Q9H4B7 1/20 0.84
SPHK2 Q9NRA0 1/20 0.84
SPHK1 Q9NYA1 1/20 0.84
MEN1 O00255 4/20 0.80
KMT2A Q03164 4/20 0.80
MAPT P10636 4/20 0.76
TP53 P04637 1/20 0.76
POLB P06746 1/20 0.76
CDK5 Q00535 7/20 0.76
CDK5R1 Q15078 7/20 0.76
NPC1 O15118 2/20 0.68

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
SCHEMBL20142406 0.91 TUBB8B (1.00) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL30899249 0.91 TUBB8B (1.00) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL20142441 0.90 TUBB8B (0.85) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL20142176 0.89 TUBB8B (0.84) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL4477198 0.89 MEN1 (1.00) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL4395515 0.88 MEN1 (0.88) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL4393604 0.88 MEN1 (0.88) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL4398263 0.86 CDK5 (0.72) MEN1KMT2AMAPTTP53CDK5
SCHEMBL20142433 0.85 MEN1 (0.72) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL20142148 0.83 GSK3A (0.73) 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
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO claimed
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO disclosed