SCHEMBL4252320

SCHEMBL4252320

C[n+]1ccn(CCCC#N)c1.F[B-](F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
APAF1 O14727 1/20 0.50
NPC1 O15118 1/20 0.50
PLA2G1B P04054 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FDPS P14324 2/20 0.34
LMNA P02545 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
SCHEMBL372789 0.93 SMN1; SMN2 (0.56) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL2229190 0.92 SMN1; SMN2 (0.54) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Bromide SCHEMBL26596998 0.92 SMN1; SMN2 (0.59) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Cyanamide SCHEMBL1340736 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL18507044 0.88 SMN1; SMN2 (0.59) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL29624315 0.86 MEN1 (0.49) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL1340737 0.86 MEN1 (0.49) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Bromide SCHEMBL9547363 0.85 SMN1; SMN2 (0.65) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL372622 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL17395317 0.83 SMN1; SMN2 (0.70) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1647761-B1 LIQUID MEDIA CONTAINING LEWIS BASIC REACTIVE COMPOUNDS FOR STORAGE AND DELIVERY OF LEWIS ACIDIC GASES AIR PROD & CHEM (US) 2015-11-18 EP claimed
US-7282084-B2 Liquid media containing Lewis basic reactive compounds for storage and delivery of Lewis acidic gases AIR PRODUCTS AND CHEMICALS, INC. (US) 2007-10-16 US claimed
US-20060081482-A1 Liquid media containing Lewis basic reactive compounds for storage and delivery of Lewis acidic gases VERSUM MATERIALS US, LLC 2006-04-20 US claimed
EP-1647761-A1 Liquid media containing lewis basic reactive compounds for storage and delivery of lewis acidic gases AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-04-19 EP claimed
EP-1640654-B1 Ionic liquid based mixtures for gas storage and delivery AIR PROD & CHEM (US) 2016-10-19 EP disclosed
EP-1647761-B1 LIQUID MEDIA CONTAINING LEWIS BASIC REACTIVE COMPOUNDS FOR STORAGE AND DELIVERY OF LEWIS ACIDIC GASES AIR PROD & CHEM (US) 2015-11-18 EP disclosed
US-8202446-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-06-19 US disclosed
US-20090272938-A1 Ionic Liquid Based Mixtures For Gas Storage and Delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-11-05 US disclosed
US-7563308-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-07-21 US disclosed
US-7404845-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-07-29 US disclosed
US-7282084-B2 Liquid media containing Lewis basic reactive compounds for storage and delivery of Lewis acidic gases AIR PRODUCTS AND CHEMICALS, INC. (US) 2007-10-16 US disclosed
US-20060081482-A1 Liquid media containing Lewis basic reactive compounds for storage and delivery of Lewis acidic gases VERSUM MATERIALS US, LLC 2006-04-20 US disclosed
EP-1647761-A1 Liquid media containing lewis basic reactive compounds for storage and delivery of lewis acidic gases AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-04-19 EP disclosed
EP-1640654-A1 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-03-29 EP disclosed
US-20060060818-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US disclosed