SCHEMBL27688679

SCHEMBL27688679

CC(C)CCn1cnc2cnc3ccccc3c21.N[SH](=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ TLR7 Q9NYK1 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ NUDT1 P36639 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL27708391 0.80 TLR7 (0.69) LMNATLR7POLBHRH2ADRA1D
SCHEMBL29379266 0.79 TLR7 (0.59) LMNATLR7POLBHRH2ADRA1D
SCHEMBL564029 0.79 TLR7 (0.59) LMNATLR7POLBHRH2ADRA1D
Ammonia Solution, Strong SCHEMBL4818558 0.78 TLR7 (0.58) LMNATLR7POLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL5435065 0.78 TLR7 (0.58) LMNATLR7POLBHRH2ADRA1D
SCHEMBL27708298 0.77 TSHR (0.54) LMNATLR7POLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL9602331 0.77 TLR7 (0.56) LMNATLR7POLBHRH2ADRA1D
SCHEMBL30930028 0.75 CYP1A2 (0.42) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29265624 0.75 CYP1A2 (0.42) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2029970 0.75 PDE4A (0.47) LMNATLR7POLBPDE4DALDH1A1

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-101014596-A Imidazoquinolinylsulfonamides, imidazopyridinylsulfonamides, and imidazo-1, 5-naphthyridinylsulfonamides 3M INNOVATIVE PROPERTIES CO (US) 2007-08-08 — — CN disclosed
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