SCHEMBL23957821

SCHEMBL23957821

CNCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCCOCC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ KAT6A Q92794 2/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ F10 P00742 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22327386 0.92 NR1H4 (0.41) NR1H4MAPTGAAKAT6AKMT2A
SCHEMBL25571178 0.90 KMT2A (0.44) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL24346424 0.88 ALDH1A1 (0.47) MAPTGAAKMT2AALDH1A1USP2
SCHEMBL21307969 0.85 SMN1; SMN2 (0.37) NR1H4MAPTGAAKMT2AALDH1A1
SCHEMBL22327196 0.85 ALDH1A1 (0.36) NR1H4MAPTGAAKMT2AALDH1A1
SCHEMBL26010471 0.85 ALDH1A1 (0.37) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL22327368 0.85 GAA (0.43) NR1H4MAPTGAAKMT2AALDH1A1
SCHEMBL23957822 0.84 GAA (0.43) NR1H4MAPTGAAKAT6AKMT2A
SCHEMBL25754063 0.83 PRMT5 (0.37) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL21538137 0.83 KMT2A (0.39) NR1H4MAPTGAAKMT2AALDH1A1

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-2021216998-A1 MODIFIED NUCLEOTIDES AND USES THEREOF Singular Genomics Systems, Inc. (US) 2021-10-28 — — WO disclosed
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