SCHEMBL28053372

SCHEMBL28053372

CCc1cccc(CC)c1NN.NC=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.40
GABRB2 P47870 3/20 0.40
SCN5A Q14524 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KCNH2 Q12809 2/20 0.40
HTT P42858 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
CACNA1C Q13936 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CLCN2 P51788 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL1995046 0.89 GABRA1 (0.48) GABRA1GABRB2SCN5AALDH1A1MAPT
Bromide SCHEMBL20984906 0.87 GABRA1 (0.46) GABRA1GABRB2SCN5AALDH1A1MAPT
Hydrochloric Acid SCHEMBL20575649 0.87 GABRA1 (0.46) GABRA1GABRB2SCN5AALDH1A1MAPT
Phosphoric Acid SCHEMBL20984696 0.80 ALDH1A1 (0.50) GABRA1GABRB2SCN5AALDH1A1MAPT
Oxalic Acid SCHEMBL20984894 0.80 CLCN2 (0.49) GABRA1GABRB2SCN5AALDH1A1MAPT
Sulfuric Acid SCHEMBL20984378 0.80 GABRA1 (0.45) GABRA1GABRB2SCN5AALDH1A1MAPT
SCHEMBL1994033 0.78 PTGS2 (0.49) GABRA1GABRB2ALDH1A1MAPTHTT
Nitric Acid SCHEMBL20984345 0.77 GABRA1 (0.42) GABRA1GABRB2SCN5AALDH1A1MAPT
Hydrochloric Acid SCHEMBL19552211 0.76 PTGS2 (0.47) GABRA1GABRB2ALDH1A1MAPTHTT
SCHEMBL28429126 0.71 SCN5A (0.59) GABRA1GABRB2SCN5AKCNH2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105886476-A Compositions and methods for enhancing virus efficacy 渥太华医院研究所 2016-08-24 CN disclosed
CN-102471300-B Compositions and methods for enhancing viral potency OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2016-04-13 CN disclosed