SCHEMBL19945786

SCHEMBL19945786

CNc1c(N)nc(S)nc1N(C=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.37
▸ CRHR1 P34998 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ AOC3 Q16853 1/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL19945803 0.89 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19945798 0.88 KCNQ3 (0.32) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL20343740 0.81 SLC26A6 (0.37) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL19945665 0.81 ABCB1 (0.38) RAB9ASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL20343735 0.77 RAB9A (0.32) RAB9ACRHR1
SCHEMBL20343818 0.77 HPGD (0.39) RAB9ALMNAALDH1A1KDM4EHPGD
SCHEMBL21318994 0.74 TLR7 (0.33) RAB9ANPC1
SCHEMBL21319007 0.72 RAB9A (0.31) RAB9ASMN1; SMN2MAPT
SCHEMBL19945582 0.71 HTT (0.34) RAB9ALMNAALDH1A1KDM4EHPGD
SCHEMBL19945779 0.71 MEN1 (0.36) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3865482-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-18 — — EP disclosed
EP-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 — — EP disclosed
WO-2018041763-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-03-08 — — WO disclosed
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