SCHEMBL23502909

SCHEMBL23502909

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ F10 P00742 2/20 0.32
▸ PARP1 P09874 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
SCHEMBL23502912 0.94 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL23106218 0.94 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL24876974 0.94 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL24877167 0.92 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL23106232 0.88 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL23502904 0.88 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL23106299 0.85 GAA (0.38) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL25753752 0.85 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL22327368 0.84 GAA (0.43) ALDH1A1ADRB2ADRB1ADRB3GAA
SCHEMBL22327386 0.84 NR1H4 (0.41) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3

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-11034942-B1 Modified pyrococcus polymerases and uses thereof Singular Genomics Systems, Inc. (US) 2021-06-15 — — US disclosed
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