SCHEMBL8900121

SCHEMBL8900121

COC(=O)c1cc(-c2ccccc2)c(C(=O)OC)c(N)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 3/20 0.52
PRKCZ Q05513 1/20 0.52
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
PPARG P37231 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
RECQL P46063 1/20 0.49
GABRA1 P14867 3/20 0.49
GABRG2 P18507 3/20 0.49
GABRB3 P28472 3/20 0.49
GABRA3 P34903 3/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.47
CFTR P13569 1/20 0.45

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
SCHEMBL8898806 0.93 GABRA1 (0.48) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL3576573 0.80 MEN1 (0.58) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL29794190 0.80 GABRA1 (0.55) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL11742903 0.79 GABRA1 (0.48) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL12121707 0.78 GABRA1 (0.62) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL7802714 0.77 HNF4A (0.46) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL27516914 0.77 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL29045583 0.76 MEN1 (0.53) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL29042677 0.76 GABRA1 (0.54) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL3686832 0.76 LMNA (0.53) ALDH1A1MEN1KMT2ALMNAHPGD

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-5616779-A Process for the preparation of 2,5-di-phenylamino-terephthalic acid and its dialkyl esters HOECHST AG (DE) 1997-04-01 US disclosed