SCHEMBL7741277

SCHEMBL7741277

CCOP(=O)(OCC)C(C)OC(Cc1ccccc1)Oc1c[c]c(F)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL6588915 0.84 LMNA (0.31) KDM4EMEN1KMT2AGAA
SCHEMBL7741279 0.80 NOS2 (0.38) KDM4EPOLB
SCHEMBL5842236 0.68 TSHR (0.32)
SCHEMBL5843335 0.68 CYP11B1 (0.39)
SCHEMBL6593244 0.67 MAPT (0.38) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL6594973 0.67 MAPT (0.35) KDM4EMEN1KMT2AGAAPOLB
SCHEMBL8894491 0.67 ALDH1A1 (0.33)
SCHEMBL7755895 0.65 CYP11B1 (0.30)
SCHEMBL1241061 0.64 POLB (0.49) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL5844428 0.63 KDM4E (0.37) KDM4ENPSR1

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-6426318-B1 KILLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-30 US disclosed