SCHEMBL7846728

SCHEMBL7846728

O=C1SC(=CCCc2cccnc2)C(=O)N1CCCCOc1cccn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.42
KMT2A Q03164 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HCRTR1 O43613 1/20 0.36
MAPT P10636 8/20 0.35
MEN1 O00255 4/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.34
PSMD14 O00487 1/20 0.34
MMP2 P08253 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.34
CGAS Q8N884 3/20 0.34
PKM P14618 2/20 0.34
POLB P06746 1/20 0.34
CISD1 Q9NZ45 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7846726 1.00 SPHK2 (0.42) SPHK2KMT2ASMN1; SMN2HCRTR1MAPT
Hydrochloric Acid SCHEMBL7833925 0.99 SPHK2 (0.41) SPHK2KMT2ASMN1; SMN2HCRTR1MAPT
Hydrochloric Acid SCHEMBL7833921 0.99 SPHK2 (0.41) SPHK2KMT2ASMN1; SMN2HCRTR1MAPT
SCHEMBL7843348 0.91 SPHK2 (0.46) SPHK2KMT2AMAPTMEN1MAPK1
SCHEMBL7843347 0.91 SPHK2 (0.46) SPHK2KMT2AMAPTMEN1MAPK1
Hydrochloric Acid SCHEMBL7845748 0.91 SPHK2 (0.46) SPHK2KMT2AMAPTMEN1MAPK1
Hydrochloric Acid SCHEMBL7845743 0.91 SPHK2 (0.46) SPHK2KMT2AMAPTMEN1MAPK1
SCHEMBL7834940 0.85 SPHK2 (0.44) SPHK2KMT2ASMN1; SMN2HCRTR1MAPT
SCHEMBL7834939 0.85 SPHK2 (0.44) SPHK2KMT2ASMN1; SMN2HCRTR1MAPT
SCHEMBL7847773 0.84 SPHK2 (0.46) SPHK2KMT2ASMN1; SMN2HCRTR1MAPT

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 4 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 claimed
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