SCHEMBL28611191

SCHEMBL28611191

Clc1ccc2c(Nc3ccccc3)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
GRM4 Q14833 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
STING1 Q86WV6 1/20 0.43
NR4A2 P43354 1/20 0.43
SNCA P37840 2/20 0.42
ALDH1A1 P00352 2/20 0.41
FADS1 O60427 1/20 0.41
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
ACHE P22303 1/20 0.40
IDO1 P14902 1/20 0.39
CXCR2 P25025 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL8049566 0.84 TGFBR1 (0.46) GPR84GRM4NR4A2ALDH1A1GAA
SCHEMBL31744900 0.81 EGFR (0.48) GRM4NR4A2FADS1HTTIDO1
SCHEMBL31744731 0.80 STING1 (0.64) PTGS2STING1MEN1KMT2A
SCHEMBL2864314 0.79 MEN1 (0.52) GPR84PTGS1PTGS2STING1ALDH1A1
SCHEMBL28375689 0.76 GPR84 (0.58) GPR84NR4A2ALDH1A1GAAIDO1
SCHEMBL28078767 0.72 GPR84 (0.49) GPR84STING1NR4A2ALDH1A1IDO1
SCHEMBL28759115 0.72 GPR84 (0.53) GPR84NR4A2ALDH1A1ACHEIDO1
SCHEMBL31744629 0.72 GPR84 (0.45) GPR84PTGS1PTGS2GRM4STING1
SCHEMBL29176366 0.72 NHERF1 (0.63) NR4A2HTTMEN1MAPTKMT2A
SCHEMBL15477955 0.71 IMPDH2 (0.58) GPR84NR4A2ALDH1A1MEN1KMT2A

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-108440370-B Inhibitors of viral replication 鲁汶天主教大学 2021-07-30 CN disclosed