SCHEMBL897977

SCHEMBL897977

CCn1cc[n+](C)c1.N#C[B-](F)(C#N)C#N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
PLA2G1B P04054 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
FDPS P14324 2/20 0.33
LMNA P02545 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
SCHEMBL2149004 0.91 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL899263 0.91 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Acetonitrile SCHEMBL18093207 0.88 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Acetonitrile SCHEMBL14637715 0.88 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL180235 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL8169330 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL6750309 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL14859660 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL9931725 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL60789 0.85 SMN1; SMN2 (0.48) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9390864-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2016-07-12 US disclosed
US-20150340165-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-9159499-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2015-10-13 US disclosed
US-8921589-B2 Electrolyte formulations MERCK PATENT GMBH (DE) 2014-12-30 US disclosed
US-20140190567-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2014-07-10 US disclosed
EP-2622617-A2 ELECTROLYTE FORMULATIONS Merck Patent GmbH (DE) 2013-08-07 EP disclosed
US-20130180591-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-18 US disclosed
WO-2012041437-A2 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed