SCHEMBL10776901

SCHEMBL10776901

NC(CCC(=O)Nc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.57
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRM4 Q14833 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10776885 1.00 LTA4H (0.57) LTA4HMEN1KMT2AMAPTHPGD
SCHEMBL25334353 0.93 LTA4H (0.66) LTA4HMEN1KMT2AMAPTHPGD
SCHEMBL465891 0.93 LTA4H (0.66) LTA4HMEN1KMT2AMAPTHPGD
Hydrochloric Acid SCHEMBL10950909 0.91 LTA4H (0.64) LTA4HMEN1KMT2AMAPTHPGD
Bromide SCHEMBL10946982 0.91 LTA4H (0.64) LTA4HMEN1KMT2AMAPTHPGD
Water SCHEMBL28456938 0.91 LTA4H (0.64) LTA4HMEN1KMT2AMAPTHPGD
Hydrochloric Acid SCHEMBL25433519 0.91 LTA4H (0.64) LTA4HMEN1KMT2AMAPTHPGD
Water SCHEMBL6282450 0.91 LTA4H (0.64) LTA4HMEN1KMT2AMAPTHPGD
Iodide SCHEMBL10947428 0.91 LTA4H (0.64) LTA4HMEN1KMT2AMAPTHPGD
SCHEMBL10686193 0.88 LTA4H (0.45) LTA4HMEN1KMT2AMAPTHPGD

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
EP-0230985-A2 Gamma-glutamyl-4-azoanilides, process for their preparation and their use for the determination of gamma-glutamyltransferase Roche Diagnostics GmbH (DE) 1987-08-05 EP disclosed