SCHEMBL23879734

SCHEMBL23879734

CCNCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCCOCC(=O)NC/C=C/C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ DRD4 P21917 3/20 0.33
▸ DRD3 P35462 3/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ HTT P42858 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
SCHEMBL21307969 0.93 SMN1; SMN2 (0.37) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL23106232 0.93 SMN1; SMN2 (0.37) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL24877693 0.87 GAA (0.38) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL23106281 0.87 GAA (0.39) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL24877167 0.87 ALDH1A1 (0.38) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL23502904 0.87 ALDH1A1 (0.36) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL21575547 0.85 GAA (0.36) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL24971569 0.85 HPGD (0.35) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL24971567 0.85 HPGD (0.35) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL23106218 0.85 ALDH1A1 (0.36) SMN1; SMN2GAAMAPTALDH1A1KMT2A

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-11136565-B2 Modified archaeal family B polymerases Singular Genomics Systems, Inc. (US) 2021-10-05 — — US disclosed
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