SCHEMBL8607341

SCHEMBL8607341

COc1c(CCC(=O)NCCCN)cc(C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL8606369 0.93 KMT2A (0.41) KMT2AGAAPOLBMEN1
SCHEMBL8604382 0.88 CA12 (0.37)
SCHEMBL8607248 0.85 GAA (0.50) KMT2AGAAPOLBMEN1GSK3B
SCHEMBL8609737 0.84 KMT2A (0.38) KMT2AGAAPOLBMEN1KDM4E
SCHEMBL8607159 0.83 KMT2A (0.54) KMT2AGAAPOLBMEN1KDM4E
SCHEMBL8609305 0.83 MTNR1A (0.43) POLBKDM4ELMNA
SCHEMBL8606674 0.82 KMT2A (0.50) KMT2AGAAPOLBMEN1KDM4E
SCHEMBL8607340 0.82 KMT2A (0.36) KMT2AGAAMEN1
SCHEMBL8608302 0.81 HSPA5 (0.36)
SCHEMBL8607393 0.79 NR5A2 (0.41) KMT2AMEN1GSK3B

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
US-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed