SCHEMBL702257

SCHEMBL702257

CC(=O)Nc1ncc(/C=c2\s/c(=C\N=Nc3ccc(OCCCN(C)C)cc3C)[nH]c2=O)s1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SETD1B Q9UPS6 1/20 0.33
AURKA O14965 2/20 0.33
OGA O60502 7/20 0.33
NTRK1 P04629 1/20 0.31
CSF1R P07333 1/20 0.31
FLT3 P36888 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
AURKB Q96GD4 1/20 0.31
USP7 Q93009 1/20 0.31
USP47 Q96K76 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL702258 1.00 SETD1B (0.33) SETD1BAURKAOGANTRK1CSF1R
SCHEMBL708508 0.92 UTS2R (0.32) SETD1BAURKA
SCHEMBL702580 0.88 OGA (0.39) OGA
SCHEMBL702579 0.88 OGA (0.39) OGA
SCHEMBL701908 0.87 KDM4E (0.37) OGANTRK1FLT3
SCHEMBL701907 0.87 KDM4E (0.37) OGANTRK1FLT3
SCHEMBL703954 0.86 PIK3CA (0.32)
SCHEMBL703955 0.86 PIK3CA (0.32)
SCHEMBL705497 0.83 PIK3CA (0.37)
SCHEMBL705496 0.83 PIK3CA (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423204-A1 THIAZOLIDINONE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2012-02-29 EP disclosed