SCHEMBL8656016

SCHEMBL8656016

CCOC(=O)C(C(=O)OCC)c1ncc(F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 8/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL19692378 0.87 MAPT (0.41) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL6645249 0.86 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL1621780 0.84 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL30468543 0.84 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL8656095 0.84 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL29923851 0.84 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL25338637 0.82 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL20594744 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AL3MBTL1CRHBP
SCHEMBL12985296 0.80 MEN1 (0.44) MAPTKMT2AMEN1POLBCYP1A2
SCHEMBL23830347 0.79 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1L3MBTL1

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
US-5811432-A Azaoxindole derivatives PFIZER INC (US) 1998-09-22 US disclosed
EP-0436333-A2 Azaoxindole derivatives PFIZER INC. (US) 1991-07-10 EP disclosed