SCHEMBL8298458

SCHEMBL8298458

Cc1cc(-c2ccc(/C=C(\N)c3nc4ccccc4[nH]3)o2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ LMNA P02545 6/20 0.48
▸ POLB P06746 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ BLM P54132 2/20 0.48
▸ MCL1 Q07820 2/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ TP53 P04637 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46

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
SCHEMBL14581052 0.87 MAPT (0.65) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL2243385 0.72 MMP2 (0.63) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6589648 0.71 MAPT (0.59) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL5145111 0.67 MAPT (0.68) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL12127306 0.67 MAPT (0.69) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL16229980 0.64 MAPT (0.66) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6595522 0.64 KMT2A (0.66) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6595519 0.64 KMT2A (0.66) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6721418 0.64 MAPT (0.79) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6721369 0.64 MAPT (0.82) MAPTMEN1KMT2ALMNAPOLB

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
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 — — WO disclosed
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