SCHEMBL7847770

SCHEMBL7847770

CCCC/C=C1/SC(=O)N(CCCCOc2cccn3ccnc23)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.46
CISD1 Q9NZ45 3/20 0.40
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPN1 P18031 6/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
HCRTR1 O43613 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 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
SCHEMBL7847773 1.00 SPHK2 (0.46) SPHK2CISD1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7847057 0.99 SPHK2 (0.45) SPHK2CISD1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7847059 0.99 SPHK2 (0.45) SPHK2CISD1MAPTKMT2AMEN1
SCHEMBL7844353 0.97 SPHK2 (0.45) SPHK2CISD1MAPTKMT2AMEN1
SCHEMBL7844357 0.97 SPHK2 (0.45) SPHK2CISD1MAPTKMT2AMEN1
SCHEMBL7836297 0.96 SPHK2 (0.44) SPHK2CISD1MAPTKMT2AMEN1
SCHEMBL7845383 0.96 SPHK2 (0.44) SPHK2CISD1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7844831 0.96 SPHK2 (0.44) SPHK2CISD1MAPTKMT2AMEN1
SCHEMBL7845385 0.96 SPHK2 (0.44) SPHK2CISD1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7844826 0.96 SPHK2 (0.44) 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