SCHEMBL28689573

SCHEMBL28689573

CNCCOCCN1CCS(=O)(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
PRMT8 Q9NR22 2/20 0.38
PRMT1 Q99873 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
SLC6A4 P31645 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL25171934 0.85
SCHEMBL24307333 0.82 ALDH1A1 (0.45) CARM1PRMT6PRMT8PRMT1ALDH1A1
SCHEMBL17207595 0.82 CARM1 (0.43) CARM1PRMT6PRMT8PRMT1ALDH1A1
SCHEMBL10177623 0.81 CARM1 (0.58) CARM1PRMT6PRMT8PRMT1ALDH1A1
SCHEMBL17057349 0.80 CARM1 (0.42) CARM1PRMT6PRMT8PRMT1ALDH1A1
SCHEMBL17500346 0.80 CARM1 (0.61) CARM1PRMT6PRMT8PRMT1ALDH1A1
SCHEMBL12550917 0.79 KDM4E (0.36) ALDH1A1NPC1HPGDMEN1KMT2A
SCHEMBL12550916 0.79 KDM4E (0.36) ALDH1A1NPC1HPGDMEN1KMT2A
SCHEMBL12550915 0.79 KDM4E (0.36) ALDH1A1NPC1HPGDMEN1KMT2A
SCHEMBL12550911 0.79 KDM4E (0.36) ALDH1A1NPC1HPGDMEN1KMT2A

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
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed