SCHEMBL10651192

SCHEMBL10651192

CCOC(=O)C(C)Sc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 6/20 0.45
PDE7A Q13946 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 5/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
USP10 Q14694 1/20 0.40
USP7 Q93009 1/20 0.40
USP47 Q96K76 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL10651899 0.85 MAPT (0.52) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL10651245 0.84 ALDH1A1 (0.56) MAPTALDH1A1PDE7ATDP1ATM
SCHEMBL3487377 0.84 KMT2A (0.55) MAPTMEN1KMT2AHPGDGAA
SCHEMBL29256260 0.82 HPGD (0.53) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL10648433 0.80 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1PDE7A
SCHEMBL6558543 0.78 PDE7A (0.54) MAPTKMT2AALDH1A1PDE7ATDP1
SCHEMBL2247990 0.77 PDGFRB (0.52) MAPTKMT2AHPGDGAAALDH1A1
SCHEMBL10648807 0.77 MAPT (0.48) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL12466651 0.76 MAPT (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2610870 0.75 MAPT (0.49) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E

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
US-4755509-A Heterocyclic aldose reductase inhibitors and methods of using them Carbipem (FR) 1988-07-05 US disclosed