SCHEMBL15905331

SCHEMBL15905331

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.42
FNTB P49356 4/20 0.42
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
P4HB P07237 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 2/20 0.36
PRNP P04156 1/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL15905333 0.89 FNTA (0.46) FNTAFNTBALDH1A1
SCHEMBL15905148 0.89 MAPT (0.40) ALDH1A1GAAMAPTLMNAP4HB
SCHEMBL15904954 0.88 MAPT (0.42) ALDH1A1GAAMAPTLMNAP4HB
SCHEMBL15905425 0.87 MAPT (0.40) FNTAFNTBALDH1A1GAAMAPT
SCHEMBL15905403 0.87 MAPT (0.41) ALDH1A1GAAMAPTLMNAP4HB
SCHEMBL15905523 0.85 MAPT (0.42) ALDH1A1GAAMAPTLMNAP4HB
SCHEMBL15905397 0.85 MAPT (0.44) ALDH1A1GAAMAPTLMNAP4HB
SCHEMBL15905540 0.85 TACR3 (0.46) ALDH1A1GAAMAPTLMNAP4HB
SCHEMBL15905092 0.84 MAPT (0.41) ALDH1A1GAAMAPTLMNAP4HB
SCHEMBL15904921 0.84 MAPT (0.46) ALDH1A1GAAMAPTLMNAP4HB

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