SCHEMBL21308043

SCHEMBL21308043

CCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OOC=O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMPD1 P17405 3/20 0.39
▸ TP53 P04637 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38

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
SCHEMBL21307971 0.80 KMT2A (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AGAA
SCHEMBL16024506 0.78 SPHK2 (0.44) ALDH1A1SMN1; SMN2KMT2AGAAMAPT
SCHEMBL21308029 0.77 MAOA (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AGAA
SCHEMBL24346424 0.76 ALDH1A1 (0.47) ALDH1A1L3MBTL1SMN1; SMN2KMT2AGAA
SCHEMBL26167876 0.76 LOX (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AGAA
SCHEMBL24370868 0.74 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2KMT2AGAAMAPT
SCHEMBL22327368 0.74 GAA (0.43) ALDH1A1KMT2AGAAMAPTPOLB
SCHEMBL24199561 0.74 F10 (0.40) ALDH1A1L3MBTL1KMT2AGAAMAPT
SCHEMBL23366318 0.74 TP53BP1 (0.47) ALDH1A1SMN1; SMN2KMT2AGAAMAPT
SCHEMBL23106281 0.73 GAA (0.39) ALDH1A1L3MBTL1SMN1; SMN2KMT2AGAA

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-2019164977-A1 FLUORINATED NUCLEOTIDES AND USES THEREOF Singular Genomics Systems, Inc. (US) 2019-08-29 — — WO disclosed
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