SCHEMBL23591908

SCHEMBL23591908

CO[C@@H]1COCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CYP2C19 P33261 1/20 0.48
▸ PDE4B Q07343 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ GRIN2B Q13224 2/20 0.46
▸ MMP1 P03956 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ HTR2C P28335 2/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ MAPT P10636 1/20 0.42

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
SCHEMBL23592468 1.00 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29080157 0.86 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23592404 0.84 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29080068 0.84 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14846448 0.84 SMN1; SMN2 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9195578 0.84 SMN1; SMN2 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8140042 0.84 SMN1; SMN2 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL18084834 0.83 MEN1 (0.67) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL18084791 0.82 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29080152 0.82 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
WO-2021132577-A1 ACYLSULFAMIDE COMPOUND AND PHARMACEUTICAL USE THEREFOR 日本たばこ産業株式会社 2021-07-01 — — WO disclosed
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