SCHEMBL8006520

SCHEMBL8006520

Nc1cc2ccccc2cc1C(=O)OC(=O)c1cc2ccccc2cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.66
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 7/20 0.42
MAPT P10636 6/20 0.42
GAA P10253 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MITF O75030 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
HSD17B10 Q99714 4/20 0.41
CFTR P13569 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 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
SCHEMBL30393412 0.85 ALDH1A1 (0.61) IDO1ALDH1A1KDM4EMAPTGAA
SCHEMBL266131 0.85 ALDH1A1 (0.61) IDO1ALDH1A1KDM4EMAPTGAA
SCHEMBL16065735 0.85 IDO1 (0.61) IDO1ALDH1A1KDM4EMAPTGAA
SCHEMBL11800875 0.83 IDO1 (0.65) IDO1ALDH1A1KDM4EMAPTTDP1
SCHEMBL28685844 0.82 ALDH1A1 (0.58) IDO1ALDH1A1KDM4EMAPTGAA
SCHEMBL5256542 0.80 ALDH1A1 (0.65) IDO1ALDH1A1KDM4EMAPTGAA
SCHEMBL8006532 0.80 IDO1 (0.56) IDO1ALDH1A1KDM4EMAPTGAA
SCHEMBL5253890 0.80 IDO1 (0.56) IDO1ALDH1A1KDM4EMAPTGAA
SCHEMBL7717550 0.80 IDO1 (0.66) IDO1ALDH1A1KDM4EMAPTGAA
SCHEMBL8006518 0.79 IDO1 (1.00) IDO1ALDH1A1KDM4EMAPTTDP1

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-6117996-A COMPLEXING; SEPARATION; PURIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2000-09-12 US disclosed