SCHEMBL8565855

SCHEMBL8565855

COc1nc2cc([N+](=O)[O-])cc(CC(CC(=O)O)C(N)=O)c2nc1OC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
BACE1 P56817 1/20 0.33
GRK6 P43250 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
AMY1A P0DUB6 1/20 0.32
CYP19A1 P11511 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
STING1 Q86WV6 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
TYMS P04818 1/20 0.32
FFAR1 O14842 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
SCHEMBL8565866 0.93 CYP19A1 (0.33) POLBBACE1ALDH1A1CYP19A1SMN1; SMN2
SCHEMBL8568657 0.84 CYP3A4 (0.34) POLBBACE1ALDH1A1CYP19A1SMN1; SMN2
SCHEMBL27462958 0.77 GRK6 (0.37) POLBGRK6ALDH1A1PTGDR2AMY1A
SCHEMBL5973535 0.77 POLB (0.41) POLBBACE1ALDH1A1CYP19A1MAPT
SCHEMBL8078887 0.77 POLB (0.41) POLBALDH1A1CYP19A1SMN1; SMN2MAPT
SCHEMBL8078889 0.75 HTT (0.39) POLBALDH1A1CYP19A1SMN1; SMN2MAPT
SCHEMBL5973317 0.75 NQO2 (0.40) POLBALDH1A1CYP19A1MAPTLMNA
SCHEMBL8086966 0.74 ALDH1A1 (0.39) GRK6ALDH1A1SMN1; SMN2MAPT
SCHEMBL8090408 0.73 KMT2A (0.41) ALDH1A1SMN1; SMN2MAPT
SCHEMBL8086955 0.73 TRPV1 (0.37) POLBALDH1A1SMN1; SMN2MAPT

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-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed