SCHEMBL7846095

SCHEMBL7846095

CCC/C=C1/SC(=O)N(CCc2cccc3nccn23)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.45
CISD1 Q9NZ45 4/20 0.41
DDX3X O00571 1/20 0.35
MAPT P10636 5/20 0.33
MAPK1 P28482 4/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
PKM P14618 3/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 5/20 0.32
NPC1 O15118 3/20 0.32
MITF O75030 2/20 0.32
GFER P55789 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 2/20 0.32
XBP1 P17861 1/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL7846098 1.00 SPHK2 (0.45) SPHK2CISD1DDX3XMAPTMAPK1
Hydrochloric Acid SCHEMBL7844286 0.99 SPHK2 (0.44) SPHK2CISD1DDX3XMAPTMAPK1
Hydrochloric Acid SCHEMBL7844285 0.99 SPHK2 (0.44) SPHK2CISD1DDX3XMAPTMAPK1
SCHEMBL7843187 0.96 SPHK2 (0.43) SPHK2CISD1DDX3XMAPTMAPK1
SCHEMBL7843189 0.96 SPHK2 (0.43) SPHK2CISD1DDX3XMAPTMAPK1
SCHEMBL7849189 0.95 SPHK2 (0.43) SPHK2CISD1DDX3XMAPTMAPK1
SCHEMBL7849188 0.95 SPHK2 (0.43) SPHK2CISD1DDX3XMAPTMAPK1
Hydrochloric Acid SCHEMBL7846045 0.95 SPHK2 (0.43) SPHK2CISD1DDX3XMAPTMAPK1
Hydrochloric Acid SCHEMBL7846043 0.95 SPHK2 (0.43) SPHK2CISD1DDX3XMAPTMAPK1
SCHEMBL7846233 0.94 SPHK2 (0.42) SPHK2CISD1DDX3XMAPTMAPK1

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
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 WO disclosed