SCHEMBL27435151

SCHEMBL27435151

CC(N1C(=O)C=CC1=O)S(=O)(=O)Br

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ GMNN O75496 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ FAAH O00519 1/20 0.31

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
SCHEMBL4887533 0.81 MGLL (0.38) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL155452 0.77 MGLL (0.35) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL27433355 0.74 MGLL (0.32) MGLLGSK3AGSK3B
SCHEMBL4896905 0.72 GSK3A (0.31) MGLLGSK3AGSK3B
SCHEMBL43978 0.69 MGLL (0.45) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL29017 0.69 MGLL (0.45) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL27458810 0.69 CA1 (0.42) MGLLALDH1A1LMNAMAPT
SCHEMBL24024169 0.65 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL22289873 0.65 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL13968985 0.65 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1

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-1125448-A 14-substituted marcfortines and derivatives useful as antiparasitic agents UPJOHN CO (US) 1996-06-26 — — CN claimed
CN-1125448-A 14-substituted marcfortines and derivatives useful as antiparasitic agents UPJOHN CO (US) 1996-06-26 — — CN disclosed
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