SCHEMBL7847754

SCHEMBL7847754

CCC/C=C1/SC(=O)N(CCCOc2cccn3ccnc23)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.45
CISD1 Q9NZ45 3/20 0.42
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
PTPN1 P18031 4/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HCRTR1 O43613 1/20 0.33
SSTR4 P31391 1/20 0.33
NPC1 O15118 1/20 0.32
MITF O75030 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
SCHEMBL7847755 1.00 SPHK2 (0.45) SPHK2CISD1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7842669 0.99 SPHK2 (0.44) SPHK2CISD1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7842671 0.99 SPHK2 (0.44) SPHK2CISD1MAPTKMT2AMEN1
SCHEMBL7834939 0.97 SPHK2 (0.44) SPHK2CISD1MAPTKMT2AMEN1
SCHEMBL7834940 0.97 SPHK2 (0.44) SPHK2CISD1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7846013 0.96 SPHK2 (0.43) SPHK2CISD1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7846015 0.96 SPHK2 (0.43) SPHK2CISD1MAPTKMT2AMEN1
SCHEMBL7847773 0.92 SPHK2 (0.46) SPHK2CISD1MAPTKMT2AMEN1
SCHEMBL7847770 0.92 SPHK2 (0.46) SPHK2CISD1MAPTKMT2AMEN1
SCHEMBL7844353 0.92 SPHK2 (0.45) SPHK2CISD1MAPTKMT2AMEN1

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