SCHEMBL17767775

SCHEMBL17767775

Nc1ccc(NCCC(=O)C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
FFAR4 Q5NUL3 1/20 0.48
MAPT P10636 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
HPGD P15428 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
HTR6 P50406 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL111190 0.82 MAPT (0.50) LMNAFFAR4MAPTMEN1KMT2A
SCHEMBL2470791 0.81 HTR6 (0.59) LMNAFFAR4MAPTMEN1KMT2A
SCHEMBL6151067 0.80 MAPT (0.50) LMNAFFAR4MAPTMEN1KMT2A
SCHEMBL29211545 0.77 MAPT (0.50) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL2169882 0.76 MAPT (0.59) LMNAFFAR4MAPTMEN1KMT2A
SCHEMBL10385970 0.76 MAPT (0.59) LMNAFFAR4MAPTMEN1KMT2A
SCHEMBL2169885 0.76 MAPT (0.59) LMNAFFAR4MAPTMEN1KMT2A
SCHEMBL11219406 0.76 HCAR3 (0.49) LMNAFFAR4MAPTMEN1KMT2A
SCHEMBL11772638 0.76 KMT2A (0.49) LMNAFFAR4MAPTMEN1KMT2A
SCHEMBL8807747 0.76 FFAR4 (0.49) LMNAFFAR4MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221406-A1 BLACK TRISAZO DYES, THEIR PREPARATION AND THEIR USE DFI CHEM GmbH (CH) 2017-09-27 EP disclosed
WO-2016078988-A1 BLACK TRISAZO DYES, THEIR PREPARATION AND THEIR USE DFI CHEM GMBH (CH) 2016-05-26 WO disclosed