SCHEMBL20866826

SCHEMBL20866826

c1cc(-c2cccc3sccc23)c2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ NOS1 P29475 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAP2K2 P36507 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ PRKX P51817 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
SCHEMBL3064844 0.80 NOS1 (0.63) NOS1HSD17B10TDP1PLK4CHEK1
SCHEMBL2048983 0.77 MAPT (0.41) ADRA2AADRA2BNOS1HSD17B10TDP1
SCHEMBL5153625 0.76 ADRA2A (0.56) ADRA2AADRA2BTDP1KDM4EMAPT
SCHEMBL18897739 0.75 ADRA2A (0.48) ADRA2AADRA2BMEN1MAPTHPGD
SCHEMBL28846891 0.73 ADRA2A (0.47) ADRA2AADRA2BHSD17B10TDP1KDM4E
SCHEMBL22015514 0.71 PIK3CD (0.59) NOS1HSD17B10TDP1PLK4CHEK1
SCHEMBL8219716 0.70 ADRA2A (0.43) ADRA2AADRA2BHSD17B10TDP1ROCK1
SCHEMBL22013890 0.69 LMNA (0.47) ADRA2AADRA2BHSD17B10TDP1KDM4E
SCHEMBL4752843 0.68 NOS1 (0.53) NOS1HSD17B10TDP1PLK4CHEK1
SCHEMBL10944347 0.67 ADRA2A (0.51) ADRA2AADRA2BKDM4EMAPTLMNA

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-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 — — WO disclosed
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