SCHEMBL21229703

SCHEMBL21229703

O=C=NCc1cccc(CCn2c(=O)n(Cc3cccc(CN=C=O)c3)c(=O)n(Cc3cccc(CN=C=O)c3)c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ TP53 P04637 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ THRB P10828 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
SCHEMBL21424869 0.91 MAPT (0.41) MAPTGAAKDM4ELMNAHPGD
SCHEMBL21452922 0.87 HPGD (0.41) MAPTGAAKDM4ELMNAHPGD
SCHEMBL24587570 0.84 RGS4 (0.48) MAPTTP53GAAKDM4ELMNA
SCHEMBL5465655 0.78 MIF (0.47) LMNAHPGDKMT2AMEN1
SCHEMBL26785 0.78 MIF (0.47) LMNAHPGDKMT2AMEN1
SCHEMBL22471928 0.76 MIF (0.46) LMNAHPGDKMT2AMEN1
SCHEMBL28048374 0.76 MIF (0.46) LMNAHPGDKMT2AMEN1
Water SCHEMBL14972890 0.76 MIF (0.46) KDM4ELMNAHPGDKMT2AMEN1
SCHEMBL29263242 0.75 CYP19A1 (0.40) HPGDKMT2AMEN1
SCHEMBL14015247 0.75 MIF (0.45) HPGDKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153913-A1 METHACRYLATE MONOMER-BASED COMPOSITION BOSTIK SA (FR) 2022-05-19 — — US disclosed
US-10696879-B2 Adhesive dual-component composition based on polyurethane BOSTIK SA (FR) 2020-06-30 — — US disclosed
US-20190241779-A1 ADHESIVE DUAL-COMPONENT COMPOSITION BASED ON POLYURETHANE BOSTIK SA (FR) 2019-08-08 — — US disclosed
Send feedback