SCHEMBL5703441

SCHEMBL5703441

O=C(O)Oc1ccc(SS)c(Cc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.35
MAPT P10636 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
FAAH O00519 2/20 0.32
MGLL Q99685 2/20 0.32
GAA P10253 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 4/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6896028 0.83 NCEH1 (0.41) NCEH1MAPTMEN1KMT2AGAA
SCHEMBL6513683 0.74 HPGD (0.42) NCEH1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6513679 0.74 HPGD (0.42) NCEH1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28918790 0.70 NCEH1 (0.32) NCEH1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL48068 0.68 CYP19A1 (0.49) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL48069 0.68 CYP19A1 (0.49) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL6706294 0.67 ALDH1A1 (0.40) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL9782844 0.67 PTGS2 (0.39) NCEH1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27697199 0.66 PKM (0.47) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL1551750 0.65 POLB (0.46) MAPTKMT2AGAAALDH1A1POLB

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-1701744-A2 THIOL-CLEAVABLE LINKAGE BETWEEN POLYMER AND LIGAND ALZA CORPORATION (US) 2006-09-20 EP disclosed
WO-2005053749-A2 THIOL-CLEAVABLE LINKAGE BETWEEN POLYMER AND LIGAND ALZA CORPORATION (US) 2005-06-16 WO disclosed