SCHEMBL8375712

SCHEMBL8375712

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ HTT P42858 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CTSV O60911 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MYC P01106 1/20 0.42
▸ MAX P61244 1/20 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
SCHEMBL8375715 1.00 ALDH1A1 (0.50) ALDH1A1MAPTTDP1CYP3A4ALOX15
SCHEMBL8379979 0.82 HTT (0.48) ALDH1A1MAPTTDP1CYP3A4ALOX15
SCHEMBL8379977 0.82 HTT (0.48) ALDH1A1MAPTTDP1CYP3A4ALOX15
SCHEMBL10942143 0.80 ALDH1A1 (0.54) ALDH1A1MAPTTDP1CYP3A4ALOX15
SCHEMBL10942137 0.80 ALDH1A1 (0.54) ALDH1A1MAPTTDP1CYP3A4ALOX15
SCHEMBL4305477 0.76 MAPT (0.55) ALDH1A1MAPTTDP1CYP3A4ALOX15
SCHEMBL14491591 0.76 ALDH1A1 (0.50) ALDH1A1MAPTTDP1CYP3A4ALOX15
SCHEMBL260006 0.75 ALDH1A1 (0.70) ALDH1A1MAPTTDP1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL10694666 0.73 ALDH1A1 (0.68) ALDH1A1MAPTTDP1CYP3A4ALOX15
SCHEMBL11351093 0.73 ALDH1A1 (0.68) ALDH1A1MAPTTDP1CYP3A4ALOX15

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
Send feedback