SCHEMBL7849189

SCHEMBL7849189

CCCC=C1SC(=O)N(CCCCc2cccc3nccn23)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.43
CISD1 Q9NZ45 4/20 0.39
LMNA P02545 3/20 0.32
RAB9A P51151 3/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 2/20 0.32
MYC P01106 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
XBP1 P17861 1/20 0.32
GFER P55789 1/20 0.32
MAPT P10636 4/20 0.32
PKM P14618 3/20 0.32
MAPK1 P28482 4/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
DDX3X O00571 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MMP1 P03956 1/20 0.31

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
SCHEMBL7849188 1.00 SPHK2 (0.43) SPHK2CISD1LMNARAB9AHTT
Hydrochloric Acid SCHEMBL7843203 0.99 SPHK2 (0.42) SPHK2CISD1LMNARAB9AHTT
Hydrochloric Acid SCHEMBL7843200 0.99 SPHK2 (0.42) SPHK2CISD1LMNARAB9AHTT
SCHEMBL7846233 0.99 SPHK2 (0.42) SPHK2CISD1LMNARAB9AHTT
SCHEMBL7846231 0.99 SPHK2 (0.42) SPHK2CISD1LMNARAB9AHTT
Hydrochloric Acid SCHEMBL7843441 0.98 SPHK2 (0.41) SPHK2CISD1LMNARAB9AHTT
Hydrochloric Acid SCHEMBL7843444 0.98 SPHK2 (0.41) SPHK2CISD1LMNARAB9AHTT
SCHEMBL7843187 0.97 SPHK2 (0.43) SPHK2CISD1LMNARAB9AHTT
SCHEMBL7843189 0.97 SPHK2 (0.43) SPHK2CISD1LMNARAB9AHTT
Hydrochloric Acid SCHEMBL7846045 0.96 SPHK2 (0.43) SPHK2CISD1LMNARAB9AHTT

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 disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US 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