SCHEMBL27999083

SCHEMBL27999083

CC(=O)C1CN(C(C)=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NOTUM Q6P988 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SNCA P37840 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL28360647 0.77 NOTUM (0.56) MAPTKDM4ENOTUMLMNAHTT
SCHEMBL5255606 0.75 MAPT (0.42) MAPTKDM4ELMNAHTTALDH1A1
SCHEMBL27580807 0.74 LMNA (0.44) MAPTKDM4ENOTUMLMNAHTT
SCHEMBL21008407 0.73 MAPT (0.45) MAPTKDM4ENOTUMLMNAHTT
SCHEMBL8484510 0.73 MAPT (0.45) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL981641 0.70 NOTUM (0.60) MAPTNOTUMLMNAHTTALDH1A1
SCHEMBL29187748 0.70 NOTUM (0.54) MAPTKDM4ENOTUMLMNAALDH1A1
SCHEMBL5970502 0.69 CHRNB4 (0.44) ALDH1A1GAATDP1L3MBTL1HIF1A
SCHEMBL397584 0.69 NOTUM (0.57) MAPTKDM4ENOTUMLMNAALDH1A1
SCHEMBL30911994 0.69 L3MBTL1 (0.41) MAPTKDM4ELMNAHTTALDH1A1

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
CN-104311469-A Synthetic method of substituted indole-3-acetic acid UNIV SOUTHEAST 2015-01-28 — — CN disclosed
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