SCHEMBL26010471

SCHEMBL26010471

CC#CCNC(=O)COCCOC(COc1cccc(C(=O)NCCNC)c1)N=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ F10 P00742 1/20 0.33

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
SCHEMBL23106220 0.94 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL24002371 0.93 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL22327196 0.92 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL24346424 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL25571178 0.90 KMT2A (0.44) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL23620703 0.88 FURIN (0.35) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL21307969 0.88 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL25753752 0.85 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL23957821 0.85 NR1H4 (0.41) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL26167764 0.85 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-20230265501-A1 PHASE PROTECTIVE REAGENT FLOW ORDERING FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-24 — — US disclosed
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