SCHEMBL28720676

SCHEMBL28720676

COc1cc(/C(O)=C(\C#N)c2cnc(C(=O)O)cn2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.63
COMT P21964 2/20 0.49
TPMT P51580 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
TTR P02766 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ABCB1 P08183 2/20 0.37
ABCC1 P33527 2/20 0.37
HTT P42858 1/20 0.36
KRAS P01116 1/20 0.36

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
SCHEMBL28720678 1.00 FTO (0.63) FTOCOMTTPMTMEN1KMT2A
SCHEMBL28717364 0.92 FTO (0.61) FTOCOMTTPMTMEN1KMT2A
SCHEMBL28717367 0.92 FTO (0.61) FTOCOMTTPMTMEN1KMT2A
SCHEMBL28717446 0.90 FTO (0.51) FTOCOMTTPMTMEN1KMT2A
SCHEMBL28717457 0.90 FTO (0.51) FTOCOMTTPMTMEN1KMT2A
SCHEMBL28717460 0.90 FTO (0.51) FTOCOMTTPMTMEN1KMT2A
SCHEMBL28717443 0.90 FTO (0.51) FTOCOMTTPMTMEN1KMT2A
SCHEMBL20100859 0.86 FTO (0.83) FTOCOMTTPMTMEN1KMT2A
SCHEMBL29493665 0.86 FTO (0.83) FTOCOMTTPMTMEN1KMT2A
SCHEMBL28717463 0.86 FTO (0.83) FTOCOMTTPMTMEN1KMT2A

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
CN-107922316-B FTO inhibitors 北京生命科学研究所 2022-04-08 CN disclosed