SCHEMBL9052278

SCHEMBL9052278

O=C(NO)[C@@H](O)[CH]Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 5/20 0.50
MME P08473 1/20 0.49
TSHR P16473 1/20 0.49
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL27640137 0.83 PKM (0.44) MMP8MMETSHRMEN1KMT2A
SCHEMBL9051266 0.83 BCAT2 (0.39) MMP8MMEMEN1KMT2A
SCHEMBL8666884 0.82 CYP1A2 (0.47) MME
SCHEMBL27640144 0.80 SMN1; SMN2 (0.50) TSHRKMT2A
SCHEMBL27660866 0.79 EPHX1 (0.46)
SCHEMBL28026869 0.79 EPHX1 (0.46)
SCHEMBL27640133 0.79 BACE1 (0.41) MMP8MMETSHRHDAC6HDAC3
SCHEMBL3135798 0.78 ACE (0.42) MMP8MMETSHRKMT2A
SCHEMBL4070246 0.78 MMP8 (0.51) MMP8MMEHDAC8HDAC6HDAC3
SCHEMBL7491376 0.77 LMNA (0.41) MMP8MME

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
WO-1996039385-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1996-12-12 WO disclosed