SCHEMBL11373798

SCHEMBL11373798

CCCN(CCC)S(=O)(=O)n1c(NC(C)=O)nc2c1CCC(C(=O)O)=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA2 P00918 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ SLC22A8 Q8TCC7 1/20 0.32
▸ ABCC2 Q92887 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ UGT1A7 Q9HAW7 1/20 0.32
▸ SLC22A11 Q9NSA0 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ ABCC9 O60706 1/20 0.30
▸ ABCC8 Q09428 1/20 0.30
▸ KCNJ11 Q14654 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
SCHEMBL11383065 0.90 NOD1 (0.30) NOD1
SCHEMBL11361453 0.86 NOD1 (0.34) NOD1SMN1; SMN2
SCHEMBL11381075 0.86 CA12 (0.31) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL11306823 0.80 CA12 (0.33) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL11371124 0.80 NOD1 (0.34) NOD1
SCHEMBL11352246 0.80 NOD1 (0.34) NOD1
SCHEMBL11368492 0.79 — —
SCHEMBL11364384 0.78 NOD1 (0.32) NOD1
SCHEMBL11352733 0.78 — —
SCHEMBL11376616 0.78 NOD1 (0.33) NOD1ALDH1A1LMNATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 — — US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 — — US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 — — US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 — — US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 — — US disclosed
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