SCHEMBL7428875

SCHEMBL7428875

NN=Cc1ccc(CNC(CO)C(=O)NCC(=O)NCCc2ccc(O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 2/20 0.36
F13A1 P00488 1/20 0.36
SFN P31947 2/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ESRRB O95718 1/20 0.35
ESRRG P62508 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
Hydrochloric Acid SCHEMBL7433216 0.91 MEN1 (0.42) KDM4ECA1CA2LMNAMEN1
SCHEMBL7428892 0.82 ST14 (0.54) KDM4EF13A1SFN
Hydrochloric Acid SCHEMBL6365976 0.81 ST14 (0.53) KDM4EF13A1SFN
Hydrochloric Acid SCHEMBL7437342 0.78 MEN1 (0.43) KDM4ELMNAMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL7427213 0.77 LMNA (0.43) KDM4ELMNAKMT2A
Hydrochloric Acid SCHEMBL7429245 0.73 MEN1 (0.39) KDM4ECA1CA2LMNAMEN1
Hydrochloric Acid SCHEMBL6365784 0.73 ST14 (0.53)
SCHEMBL7116195 0.68 ST14 (0.55) KDM4EF13A1ESRRBESRRG
Hydrochloric Acid SCHEMBL7491587 0.68 SIRT2 (0.49) KDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL7539002 0.67 ST14 (0.54) KDM4EF13A1ESRRBESRRG

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
EP-1206444-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY Morphochem AG (DE) 2002-05-22 EP disclosed
WO-2001014320-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2001-03-01 WO disclosed