SCHEMBL7842363

SCHEMBL7842363

CCCC=C1SC(=O)N(CCCCSc2cccc3nc(C)cn23)C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.36
CISD1 Q9NZ45 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MYC P01106 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DDX3X O00571 1/20 0.30

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
SCHEMBL7842360 1.00 SPHK2 (0.36) SPHK2CISD1ALDH1A1HSD17B10MEN1
Hydrochloric Acid SCHEMBL7834341 0.99 SPHK2 (0.36) SPHK2CISD1ALDH1A1HSD17B10MEN1
Hydrochloric Acid SCHEMBL7834344 0.99 SPHK2 (0.36) SPHK2CISD1ALDH1A1HSD17B10MEN1
SCHEMBL7848685 0.84 SPHK2 (0.39) SPHK2CISD1ALDH1A1HSD17B10MYC
SCHEMBL7848684 0.84 SPHK2 (0.39) SPHK2CISD1ALDH1A1HSD17B10MYC
Hydrochloric Acid SCHEMBL7847508 0.84 SPHK2 (0.38) SPHK2CISD1ALDH1A1HSD17B10MYC
Hydrochloric Acid SCHEMBL7847506 0.84 SPHK2 (0.38) SPHK2CISD1ALDH1A1HSD17B10MYC
SCHEMBL7849255 0.81 SPHK2 (0.39) SPHK2CISD1ALDH1A1HSD17B10MEN1
SCHEMBL7849253 0.81 SPHK2 (0.39) SPHK2CISD1ALDH1A1HSD17B10MEN1
Hydrochloric Acid SCHEMBL7842323 0.81 SPHK2 (0.39) SPHK2CISD1ALDH1A1HSD17B10LMNA

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