SCHEMBL23879757

SCHEMBL23879757

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NR1H4 Q96RI1 2/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ REN P00797 1/20 0.34
▸ F10 P00742 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAOB P27338 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
SCHEMBL23106299 0.94 GAA (0.38) GAAMAPTNR1H4KMT2ACHRM2
SCHEMBL24877693 0.90 GAA (0.38) GAAMAPTNR1H4KMT2AALDH1A1
SCHEMBL22327386 0.84 NR1H4 (0.41) GAAMAPTNR1H4KMT2ACHRM2
SCHEMBL22327368 0.84 GAA (0.43) GAAMAPTNR1H4KMT2ACHRM2
SCHEMBL23502901 0.84 GAA (0.36) GAAMAPTNR1H4KMT2ACHRM2
SCHEMBL23879737 0.83 GAA (0.35) GAAMAPTNR1H4KMT2ACHRM2
SCHEMBL21538137 0.82 KMT2A (0.39) GAAMAPTNR1H4KMT2ACHRM2
SCHEMBL22327367 0.82 GAA (0.48) KDM4EGAAMAPTNR1H4KMT2A
SCHEMBL23106281 0.82 GAA (0.39) GAAMAPTKMT2ACHRM2ALDH1A1
SCHEMBL25571178 0.82 KMT2A (0.44) GAAMAPTKMT2AALDH1A1MEN1

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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