SCHEMBL22951196

SCHEMBL22951196

CCCCCCCc1c2c(c(CCCC)c3nsnc13)N=S=N2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TNF P01375 1/20 0.35
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TYMP P19971 2/20 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
SCHEMBL25700623 0.79 TNF (0.36) ALDH1A1TNFKCNH2CHRM1TLR8
SCHEMBL29739831 0.78 ALDH1A1 (0.42) ALDH1A1TNFHPGDKCNH2CHRM1
SCHEMBL13589744 0.77 TNF (0.38) ALDH1A1TNFPKMHPGDKCNH2
SCHEMBL19116270 0.71 ALOX5 (0.36) TLR8
SCHEMBL18843387 0.69 ALOX5 (0.37) TLR8
SCHEMBL17008157 0.66 TSHR (0.57) ALDH1A1KCNH2CHRM1TYMP
SCHEMBL4945503 0.66 TYR (0.43) ALDH1A1TNFKCNH2CHRM1TLR8
SCHEMBL22359954 0.66 TYR (0.43) ALDH1A1TNFKCNH2CHRM1TLR8
SCHEMBL7213588 0.65 CHRM1 (0.45) ALDH1A1KCNH2CHRM1
SCHEMBL5679424 0.63 TSHR (0.50) ALDH1A1HPGDKCNH2CHRM1NPSR1

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
US-20210036250-A1 Cathode Interface Modification Material Composition, Preparation Method and Use Thereof GUIZHOU INSTITUTE OF TECHNOLOGY (CN) 2021-02-04 — — US disclosed
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