SCHEMBL20006648

SCHEMBL20006648

N#CCc1cc2c3cc(CC#N)c(CC#N)cc3c3cc(CC#N)c(CC#N)cc3c2cc1CC#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.42
CYP2A6 P11509 1/20 0.39
ENPP2 Q13822 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL23551155 0.87 CSNK2A1 (0.40) CSNK2A1CYP2A6ENPP2ALDH1A1HPGD
SCHEMBL11328742 0.77 HTT (0.36) CSNK2A1CYP2A6ALDH1A1HPGDMEN1
SCHEMBL8957174 0.75 CSNK2A1 (0.34) CSNK2A1CYP2A6ALDH1A1HPGDKDM4E
SCHEMBL11040769 0.73 KDM4E (0.47) CSNK2A1CYP2A6ENPP2ALDH1A1HPGD
SCHEMBL11743033 0.71 MAPT (0.38) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21259084 0.71 ESR2 (0.39) CSNK2A1ENPP2ALDH1A1ESR1ESR2
SCHEMBL13405938 0.71 CSNK2A1 (0.48) CSNK2A1CYP2A6ALDH1A1HPGDESR1
SCHEMBL11339655 0.69 CYP2A6 (0.53) CSNK2A1CYP2A6ALDH1A1HPGDMEN1
SCHEMBL15805899 0.69 CSNK2A1 (0.33) CSNK2A1CYP2A6ALDH1A1HPGDKDM4E
SCHEMBL16527053 0.69 ALDH1A1 (0.38) CSNK2A1CYP2A6ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180090744-A1 MATERIAL FOR NEGATIVE ELECTRODE, ELECTRODE SHEET FOR ALL-SOLID STATE SECONDARY BATTERY, ALL-SOLID STATE SECONDARY BATTERY, AND METHODS FOR MANUFACTURING ELECTRODE SHEET FOR ALL-SOLID STATE SECONDARY BATTERY AND ALL-SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2018-03-29 US disclosed