SCHEMBL7849255

SCHEMBL7849255

CCCC=C1SC(=O)N(CCCSc2cccc3nccn23)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.39
CISD1 Q9NZ45 3/20 0.38
KDM1A O60341 1/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL7849253 1.00 SPHK2 (0.39) SPHK2CISD1KDM1ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7842324 0.99 SPHK2 (0.39) SPHK2CISD1KDM1ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7842323 0.99 SPHK2 (0.39) SPHK2CISD1KDM1ALMNASMN1; SMN2
SCHEMBL7848684 0.97 SPHK2 (0.39) SPHK2CISD1LMNASMN1; SMN2NPC1
SCHEMBL7848685 0.97 SPHK2 (0.39) SPHK2CISD1LMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7847506 0.96 SPHK2 (0.38) SPHK2CISD1LMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7847508 0.96 SPHK2 (0.38) SPHK2CISD1LMNASMN1; SMN2NPC1
SCHEMBL7847676 0.94 CISD1 (0.39) SPHK2CISD1LMNASMN1; SMN2HPGD
SCHEMBL7847679 0.94 CISD1 (0.39) SPHK2CISD1LMNASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL7848185 0.93 CISD1 (0.39) SPHK2CISD1LMNASMN1; SMN2MAPT

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