SCHEMBL24877167

SCHEMBL24877167

CC/C=C/CNC(=O)COCCOC(COc1cccc(C(=O)NCCNC(C)C)c1)N=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ ADRB2 P07550 2/20 0.34
▸ ADRB1 P08588 2/20 0.34
▸ ADRB3 P13945 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL23502904 0.94 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL23106232 0.94 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL23502909 0.92 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL23106218 0.88 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL23502912 0.88 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL21307969 0.87 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL24876974 0.87 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL23106299 0.87 GAA (0.38) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL23879734 0.87 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL25753752 0.87 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTKMT2A

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-20230011240-A1 MODIFIED ARCHAEAL FAMILY B POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-12 — — US disclosed
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