SCHEMBL29291073

SCHEMBL29291073

CCS(=O)(=O)CC.Clc1ccc(Cc2nnco2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PTGER1 P34995 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ CCR1 P32246 2/20 0.36
▸ CCR2 P41597 2/20 0.36
▸ CCR4 P51679 2/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29291077 0.81 ALOX12 (0.40) LMNAPTGER1MAPTSMN1; SMN2ALDH1A1
SCHEMBL25237152 0.75 RAB9A (0.38) LMNARAB9AMAPTSMN1; SMN2HTT
SCHEMBL29291075 0.74 ALDH1A1 (0.47) LMNARAB9AMAPTSMN1; SMN2HTT
SCHEMBL29291074 0.72 ALDH1A1 (0.39) LMNARAB9APTGER1MAPTSMN1; SMN2
SCHEMBL27984899 0.70 PTGER1 (0.47) LMNARAB9APTGER1MAPTSMN1; SMN2
SCHEMBL29291086 0.70 NOTUM (0.39) RAB9APTGER1MAPTSMN1; SMN2L3MBTL1
SCHEMBL15497186 0.67 LMNA (0.67) LMNARAB9AMAPTSMN1; SMN2HTT
SCHEMBL30578709 0.67 KMT2A (0.44) RAB9AMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL11558189 0.66 SMN1; SMN2 (0.50) LMNARAB9APTGER1MAPTSMN1; SMN2
SCHEMBL155790 0.65 IDO1 (0.60) LMNASMN1; SMN2HTTKDM4EIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109705054-A The thioether sulfone compound and its preparation method and application of one class preventing and control Banana Root nematode 贵州大学 2019-05-03 — — CN claimed
CN-109705054-A The thioether sulfone compound and its preparation method and application of one class preventing and control Banana Root nematode 贵州大学 2019-05-03 — — CN disclosed
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