Sugi Predict

Sugi Predict / Compounds / SCHEMBL7059611

SCHEMBL7059611

SCHEMBL7059611

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ EPOR P19235 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ LTA4H P09960 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7059602 0.81 ABCB1 (0.39) PPARGPOLBABCB1
SCHEMBL7063843 0.80 ALDH1A1 (0.46) POLB
Hydrochloric Acid SCHEMBL7527724 0.78 LTA4H (0.41) ABCB1LTA4H
SCHEMBL7926167 0.71 BACE1 (0.45) LTA4H
SCHEMBL19007840 0.70 ALDH1A1 (0.46) KMT2AABCB1CA1CA2TDP1
SCHEMBL2705626 0.69 ALDH1A1 (0.46) KMT2ATDP1
SCHEMBL6255913 0.69 ALDH1A1 (0.45) KMT2ACA1CA2TDP1
SCHEMBL6255904 0.69 ALDH1A1 (0.45) KMT2ACA1CA2TDP1
SCHEMBL8446206 0.69 ALDH1A1 (0.51) KMT2AMEN1CA1CA2TDP1
SCHEMBL5969414 0.69 ALDH1A1 (0.51) KMT2AMEN1CA1CA2TDP1

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