Sugi Predict

Sugi Predict / Compounds / SCHEMBL6574087

SCHEMBL6574087

SCHEMBL6574087

COc1ccc(C(N)=O)c(-c2cc(NC(=O)c3cccc(N4CCOCC4)c3)ccc2C)c1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 16/20 0.44
▸ BRAF P15056 16/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ OPRK1 P41145 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL6570490 0.90 RAF1 (0.47) RAF1BRAFMAPK14OPRK1
SCHEMBL6572676 0.86 RAF1 (0.46) RAF1BRAFMAPK14OPRK1
SCHEMBL6571705 0.86 OPRK1 (0.51) RAF1BRAFMAPK14OPRK1
SCHEMBL6477326 0.83 MAPK14 (0.54) MAPK14OPRK1MEN1ALDH1A1MAPT
SCHEMBL6574089 0.83 OPRK1 (0.44) RAF1BRAFOPRK1
SCHEMBL6572660 0.83 BRAF (0.48) RAF1BRAFMAPK14
SCHEMBL6572665 0.82 RAF1 (0.49) RAF1BRAF
SCHEMBL6476766 0.78 OPRK1 (0.59) RAF1BRAFMAPK14OPRK1ALDH1A1
SCHEMBL6476511 0.78 MAPK14 (0.62) RAF1BRAFMAPK14OPRK1
SCHEMBL7806485 0.78 MAPT (0.50) MAPK14MEN1ALDH1A1MAPTPKM

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-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 — — EP disclosed