SCHEMBL15905403

SCHEMBL15905403

NNC(=O)c1cc(-c2ccc(C#Cc3ccc(NC(CC(=O)O)C(=O)O)cc3)cc2)nc2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
P4HB P07237 1/20 0.41
CYP2C9 P11712 5/20 0.39
CYP3A4 P08684 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MCL1 Q07820 1/20 0.36
DHODH Q02127 1/20 0.36
TACR3 P29371 1/20 0.36
POLB P06746 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 0.92 MAPT (0.42) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905148 0.91 MAPT (0.40) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905425 0.90 MAPT (0.40) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905277 0.89 MAPT (0.41) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905397 0.89 MAPT (0.44) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905540 0.89 TACR3 (0.46) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905406 0.89 ALDH1A1 (0.41) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905545 0.88 TACR3 (0.45) MAPTALDH1A1GAACYP2C9CYP3A4
SCHEMBL15905523 0.87 MAPT (0.42) MAPTALDH1A1GAALMNAP4HB
SCHEMBL15905331 0.87 FNTA (0.42) 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