SCHEMBL15905425

SCHEMBL15905425

CC(C)CC(Nc1ccc(C#Cc2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
P4HB P07237 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
CYP3A4 P08684 5/20 0.38
CYP2C9 P11712 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TACR3 P29371 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL15904954 0.90 MAPT (0.42) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905403 0.90 MAPT (0.41) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905523 0.89 MAPT (0.42) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905426 0.89 CA2 (0.42) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905148 0.88 MAPT (0.40) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905092 0.88 MAPT (0.41) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905331 0.87 FNTA (0.42) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905397 0.87 MAPT (0.44) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905540 0.87 TACR3 (0.46) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905473 0.87 MAPT (0.41) MAPTALDH1A1GAALMNAP4HB

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-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP claimed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO claimed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed