SCHEMBL22307353

SCHEMBL22307353

O=C(Oc1ccccc1)c1ncc(-c2cccc(-c3cnc(C(=O)Oc4ccccc4)[nH]3)c2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
SCN2A Q99250 4/20 0.44
HPGDS O60760 1/20 0.43
NPY5R Q15761 3/20 0.42
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMPD3 Q9NY59 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PIN1 Q13526 1/20 0.39
NSD2 O96028 1/20 0.39

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
SCHEMBL30518825 0.83 HPGDS (0.43) SCN2AHPGDSNPY5RMAPTTDP1
SCHEMBL27992257 0.73 SCN2A (0.55) SCN9ASCN2AHPGDSNPY5RMAPT
SCHEMBL2330004 0.73 NPY5R (0.55) SCN9ASCN2AHPGDSNPY5RMAPT
SCHEMBL5440401 0.71 SCN9A (0.74) SCN9ASCN2ANPY5RSCN10A
SCHEMBL30852800 0.70 SCN9A (0.59) SCN9ASCN2AHPGDSNPY5RMAPT
SCHEMBL11229277 0.70 SCN2A (0.52) SCN9ASCN2AHPGDSNPY5RMAPT
SCHEMBL15135617 0.69 NPY5R (0.50) SCN9ASCN2AHPGDSNPY5RMAPT
SCHEMBL23859764 0.68 NR1H4 (0.58) TDP1MEN1KMT2A
SCHEMBL27491435 0.68 PIN1 (0.51) SCN9ANPY5RPIN1
SCHEMBL11836426 0.66 KMT2A (0.47) MAPTTDP1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3875525-A1 MATERIAL FOR HOT MELT EXTRUSION SYSTEM, MODELING MATERIAL FOR 3D PRINTERS, METHOD FOR PRODUCING MODELING MATERIAL FOR 3D PRINTERS, AND THREE-DIMENSIONAL MODEL KONICA MINOLTA, INC. (JP) 2021-09-08 EP disclosed
WO-2020158647-A1 MATERIAL FOR HOT MELT EXTRUSION SYSTEM, MODELING MATERIAL FOR 3D PRINTERS, METHOD FOR PRODUCING MODELING MATERIAL FOR 3D PRINTERS, AND THREE-DIMENSIONAL MODEL コニカミノルタ株式会社 2020-08-06 WO disclosed