SCHEMBL4057336

SCHEMBL4057336

Nc1ncc(-c2cccc(NC(=O)c3cccs3)c2)n1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
CLK1 P49759 1/20 0.51
HPGD P15428 5/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
GLA P06280 2/20 0.50
POLB P06746 2/20 0.50
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4298890 0.85 MAPT (0.48) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4054862 0.79 KDM4E (0.55) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL29684351 0.76 KCNK3 (0.74) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4055861 0.75 MAP4K4 (0.54) SMN1; SMN2KMT2AKCNK3KCNK9HPGD
SCHEMBL13655257 0.75 MAPT (0.58) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4061445 0.74 HPGD (0.54) SMN1; SMN2LMNAKCNK3KCNK9HPGD
SCHEMBL4243575 0.73 TRPV1 (0.53)
SCHEMBL23011772 0.73 KCNK3 (0.82) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL13874759 0.72 MAPT (1.00) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29684417 0.71 MAPT (0.57) MAPTSMN1; SMN2KDM4EMEN1KMT2A

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-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed