Sugi Predict

Sugi Predict / Compounds / SCHEMBL6032283

SCHEMBL6032283

SCHEMBL6032283

CCOC(=O)c1c2c(c(O)c[n+]1[O-])C(=O)N(Cc1ccc(F)c(Cl)c1)CC2.CCOC(=O)c1nc(OC(C)=O)c(OC(C)=O)c2c1CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CASP3 P42574 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1337301 0.90 ALDH1A1 (0.38) MEN1ALDH1A1KMT2ACASP3LMNA
SCHEMBL1337231 0.87 MEN1 (0.42) MEN1ALDH1A1KMT2ALMNAHTT
SCHEMBL6031443 0.86 MEN1 (0.37) MEN1ALDH1A1KMT2ALMNAHTT
SCHEMBL1335829 0.86 MEN1 (0.37) MEN1ALDH1A1KMT2ALMNAHTT
SCHEMBL5814580 0.78 TNIK (0.33) —
SCHEMBL4492303 0.78 LMNA (0.47) MEN1ALDH1A1KMT2ALMNAHTT
SCHEMBL4473406 0.78 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ALMNAHTT
SCHEMBL1336916 0.78 MEN1 (0.42) MEN1ALDH1A1KMT2ALMNAHTT
SCHEMBL4479139 0.75 AKR1B1 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL10232272 0.74 MEN1 (0.40) MEN1ALDH1A1KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 — — EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 — — WO disclosed