SCHEMBL2226023

SCHEMBL2226023

N=C(NO)c1cc(C(=O)O)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.65
KDM5C P41229 7/20 0.65
KDM4A O75164 6/20 0.65
ALKBH5 Q6P6C2 5/20 0.65
KDM4E B2RXH2 5/20 0.65
KDM2A Q9Y2K7 5/20 0.65
KDM3A Q9Y4C1 5/20 0.65
KDM4C Q9H3R0 4/20 0.65
KDM6B O15054 4/20 0.65
KDM5B Q9UGL1 4/20 0.65
ALDH1A1 P00352 2/20 0.65
KDM4D Q6B0I6 2/20 0.65
TET3 O43151 1/20 0.65
BBOX1 O75936 1/20 0.65
MAPT P10636 1/20 0.65
KDM5A P29375 1/20 0.65
ASPH Q12797 1/20 0.65
TET2 Q6N021 1/20 0.65
KDM7A Q6ZMT4 1/20 0.65
KDM8 Q8N371 1/20 0.65

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
SCHEMBL22396443 0.86 FTO (0.65) FTOKDM5CKDM4AALKBH5KDM4E
SCHEMBL5012139 0.85 ALDH1A1 (0.44) FTOKDM5CKDM4AALKBH5KDM4E
SCHEMBL72377 0.79 KDM5C (1.00) FTOKDM5CKDM4AALKBH5KDM4E
SCHEMBL29382783 0.79 KDM5C (1.00) FTOKDM5CKDM4AALKBH5KDM4E
SCHEMBL27877798 0.79 KDM5C (0.69) FTOKDM5CKDM4AALKBH5KDM4E
Hydrochloric Acid SCHEMBL9361001 0.77 KDM5C (0.96) FTOKDM5CKDM4AALKBH5KDM4E
Water SCHEMBL2650345 0.77 KDM5C (0.96) FTOKDM5CKDM4AALKBH5KDM4E
Hydrochloric Acid SCHEMBL10778857 0.77 KDM5C (0.96) FTOKDM5CKDM4AALKBH5KDM4E
SCHEMBL2276257 0.77 KDM5C (0.96) FTOKDM5CKDM4AALKBH5KDM4E
SCHEMBL9585979 0.77 FTO (0.96) FTOKDM5CKDM4AALKBH5KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704113-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed