SCHEMBL8378025

SCHEMBL8378025

CCOC(=O)C=Nc1ccc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ KMT2A Q03164 8/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ PKM P14618 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ MAPT P10636 10/20 0.44
▸ HTT P42858 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42

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
SCHEMBL8378021 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1PKM
SCHEMBL8379979 0.88 HTT (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1PKM
SCHEMBL8379977 0.88 HTT (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1PKM
SCHEMBL13118446 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1PKMNPC1
SCHEMBL8572712 0.77 TSHR (0.47) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL8441761 0.77 TSHR (0.47) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL15850863 0.74 MAPT (0.53) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL8570272 0.73 ABL1 (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL8441791 0.73 ABL1 (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL2527342 0.73 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KMT2AMEN1PKM

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-5973189-A Monoesters of carboxymethylene anthranilic acids and process for preparing the same CLARIANT GMBH (DE) 1999-10-26 — — US disclosed
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