Sugi Predict

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SCHEMBL7059607

SCHEMBL7059607

COC(=O)CC(N)(C(=O)OCc1ccccc1)c1cccc(NC(=NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.43
▸ ENPP2 Q13822 4/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ BACE1 P56817 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28603626 0.75 MGLL (0.56) MGLLENPP2RAB9AMAPTSMN1; SMN2
SCHEMBL28603625 0.75 MGLL (0.56) MGLLENPP2RAB9AMAPTSMN1; SMN2
SCHEMBL7063847 0.75 PPARG (0.50) MGLLPPARG
SCHEMBL18738533 0.72 POLB (0.49) MGLLENPP2RAB9ALMNAMAPT
SCHEMBL13029770 0.72 POLB (0.49) MGLLENPP2RAB9ALMNAMAPT
SCHEMBL10317786 0.72 MGLL (0.44) MGLLENPP2RAB9AMAPTKMT2A
SCHEMBL10317787 0.72 MGLL (0.44) MGLLENPP2RAB9AMAPTKMT2A
SCHEMBL5097623 0.71 LMNA (0.50) MGLLRAB9ALMNAHTTKMT2A
SCHEMBL2705621 0.70 RAB9A (0.49) MGLLRAB9ALMNAMAPTKMT2A
SCHEMBL2705625 0.70 RAB9A (0.49) MGLLRAB9ALMNAMAPTKMT2A

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-6617332-B1 Cyclic amidinourea derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-09-09 — — US disclosed