SCHEMBL3868248

SCHEMBL3868248

CCn1ccnc1SC#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.33
TLR8 Q9NR97 2/20 0.33
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALOX12 P18054 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL14722823 0.83 POLB (0.53) GAAKMT2AALDH1A1POLBTLR8
SCHEMBL6466595 0.75
SCHEMBL5069929 0.71
SCHEMBL28198306 0.69 SMN1; SMN2 (0.37) GAAKMT2AALDH1A1POLBMAPT
Thiocyanic Acid SCHEMBL25246587 0.68 KMT2A (0.52) KMT2AALDH1A1POLBMEN1LMNA
Cyanamide SCHEMBL15378431 0.68 KMT2A (0.52) KMT2AALDH1A1POLBTLR8LMNA
SCHEMBL8541839 0.68 KMT2A (0.50) GAAKMT2AALDH1A1POLBMAPT
SCHEMBL20518770 0.67
SCHEMBL7297435 0.67 KMT2A (0.33) KMT2AALDH1A1POLBMAPTTLR8
SCHEMBL7350391 0.67 KMT2A (0.39) KMT2AALDH1A1POLBMAPTMEN1

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 10 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
EP-2820105-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS Merck Patent GmbH (DE) 2015-01-07 EP disclosed
US-20140190567-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2014-07-10 US disclosed
WO-2013026563-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2013-02-28 WO disclosed
US-7618838-B2 Hybrid solar cells based on nanostructured semiconductors and organic materials THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2009-11-17 US disclosed
US-20060263922-A1 Hybrid solar cells based on nanostructured semiconductors and organic materials NATIONAL SCIENCE FOUNDATION 2006-11-23 US disclosed
WO-2005023422-A2 PRODUCTION AND USE OF IONIC LIQUIDS CONTAINING THIOCYANATO ANIONS SOLVENT INNOVATION GMBH (DE) 2005-03-17 WO disclosed
EP-1512460-A1 Preparation and use of ionic liquids having thiocyanat as anion Solvent Innovation GmbH (DE) 2005-03-09 EP disclosed