SCHEMBL4846964

SCHEMBL4846964

ClCc1ccccc1-c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.61
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
DPP4 P27487 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
LTK P29376 1/20 0.38
CDK5 Q00535 1/20 0.38
MST1R Q04912 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDO2 P48775 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5023959 0.80 LTA4H (0.66) LTA4HRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4845248 0.80 LTA4H (0.61) LTA4HRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3780733 0.80 LTA4H (0.61) LTA4HRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6028964 0.80 LTA4H (0.61) LTA4HRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL477614 0.80 LTA4H (0.61) LTA4HRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4848749 0.80 LTA4H (0.61) LTA4HRAB9AALDH1A1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL2463750 0.78 LTA4H (0.59) LTA4HRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL995326 0.78 LTA4H (0.55) LTA4HRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3906600 0.77 LTA4H (0.57) LTA4HRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL7040229 0.77 LTA4H (0.57) LTA4HRAB9AALDH1A1NPC1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7463400-B1 Electrochromic display device FUJI XEROX CO., LTD. (JP) 2008-12-09 US disclosed
CN-1114594-C D4 receptor selectivity piperazine derivatives MERCK PATENT GMBH (DE) 2003-07-16 CN disclosed
EP-0931067-B1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-26 EP disclosed
US-6284365-B1 FOR CONTROLLING PHYSICAL PROPERTIES OF SURFACE AND INTERFACE OF SOLID ARTICLE SUCH AS WETTABILITY, ADHESIVE PROPERTY, SURFACE ENERGY, DISPERSABILITY, CHEMICAL RESISTANCE FUJI XEROX CO., LTD. (JP) 2001-09-04 US disclosed
US-6258813-B1 BIOLOGICAL RECEPTORS WITH TETRAHYDROPIPERIZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT (DE) 2001-07-10 US disclosed
CN-1230180-A Piperazine derivatives with D4 receptor selectivity MERCK PATENT GMBH (DE) 1999-09-29 CN disclosed
EP-0931067-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 1999-07-28 EP disclosed
WO-1998011068-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1998-03-19 WO disclosed