SCHEMBL8379977

SCHEMBL8379977

CCOC(=O)/C=N\c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ KMT2A Q03164 7/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ PKM P14618 2/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GLO1 Q04760 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 2/20 0.41

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
SCHEMBL8379979 1.00 HTT (0.48) HTTTP53MAPTALDH1A1KMT2A
SCHEMBL8378021 0.88 SMN1; SMN2 (0.47) HTTTP53MAPTALDH1A1KMT2A
SCHEMBL8378025 0.88 SMN1; SMN2 (0.47) HTTTP53MAPTALDH1A1KMT2A
SCHEMBL8375712 0.82 ALDH1A1 (0.50) HTTTP53MAPTALDH1A1KMT2A
SCHEMBL8375715 0.82 ALDH1A1 (0.50) HTTTP53MAPTALDH1A1KMT2A
SCHEMBL8441772 0.76 TSHR (0.46) MAPTALDH1A1KMT2AMEN1HSP90AA1
SCHEMBL8441775 0.76 TSHR (0.46) MAPTALDH1A1KMT2AMEN1HSP90AA1
SCHEMBL27726140 0.76 HTT (0.51) HTTTP53MAPTALDH1A1KMT2A
SCHEMBL7116626 0.75 SMN1; SMN2 (0.64) HTTTP53MAPTALDH1A1KMT2A
SCHEMBL15850863 0.73 MAPT (0.53) MAPTALDH1A1KMT2AMEN1NPC1

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 3 patents. 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
EP-0847382-A1 MONOESTERS OF CARBOXYMETHYLENE ANTHRANILIC ACIDS AND PROCESS FOR PREPARING THE SAME Clariant GmbH (DE) 1998-06-17 — — EP disclosed
WO-1997008131-A1 MONOESTERS OF CARBOXYMETHYLENE ANTHRANILIC ACIDS AND PROCESS FOR PREPARING THE SAME CLARIANT GMBH (DE) 1997-03-06 — — WO disclosed
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