SCHEMBL701907

SCHEMBL701907

CC(=O)Nc1ncc(/C=c2\s/c(=C\N=Nc3ccc(OCCN4CCCC4)cc3C)[nH]c2=O)s1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNA5 P22460 1/20 0.36
OGA O60502 8/20 0.35
PARP1 P09874 1/20 0.34
NTRK1 P04629 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL701908 1.00 KDM4E (0.37) KDM4EMEN1HTTKMT2AKCNA5
SCHEMBL702257 0.87 SETD1B (0.33) OGANTRK1FLT3
SCHEMBL702258 0.87 SETD1B (0.33) OGANTRK1FLT3
SCHEMBL702580 0.87 OGA (0.39) KDM4EMEN1HTTKMT2AOGA
SCHEMBL702579 0.87 OGA (0.39) KDM4EMEN1HTTKMT2AOGA
SCHEMBL708508 0.81 UTS2R (0.32)
SCHEMBL651200 0.78 HPGD (0.43) KDM4EMEN1HTTKMT2AKCNA5
SCHEMBL651201 0.78 HPGD (0.43) KDM4EMEN1HTTKMT2AKCNA5
SCHEMBL705496 0.78 PIK3CA (0.37) PARP1
SCHEMBL705497 0.78 PIK3CA (0.37) PARP1

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