SCHEMBL21686901

SCHEMBL21686901

CNCCS(=O)(=O)Nc1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
AURKA O14965 1/20 0.42
DHFR P00374 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
EDNRA P25101 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL19080610 0.80 KDM4E (0.54) LMNATDP1TSHRALDH1A1HRH3
SCHEMBL14297823 0.78 AURKA (0.48) LMNAAURKADHFRTSHRALDH1A1
SCHEMBL8910376 0.76 HPGD (0.54) LMNAAURKADHFRTSHRALDH1A1
Hydrochloric Acid SCHEMBL21633585 0.76 AURKA (0.47) LMNAAURKADHFRTSHRALDH1A1
SCHEMBL23874468 0.73 EDNRA (0.39) ALDH1A1EDNRAKDM4EKMT2A
SCHEMBL15601951 0.72 KEAP1 (0.50) LMNAALDH1A1KMT2ATAAR1
SCHEMBL21686902 0.71 ALDH1A1 (0.49) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL21686843 0.70 LMNA (0.57) LMNATDP1ALDH1A1L3MBTL1HRH3
SCHEMBL12256025 0.69 GLO1 (0.48) LMNAAURKADHFRTSHRALDH1A1
SCHEMBL21686841 0.68 CA12 (0.46) TSHRALDH1A1L3MBTL1NPSR1

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
WO-2020020939-A1 PYRIDOPYRIMIDINES AS HISTAMINE H4-RECEPTOR INHIBITORS FAES FARMA, S.A. (ES) 2020-01-30 WO disclosed