SCHEMBL8992892

SCHEMBL8992892

CC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
WDR5 P61964 11/20 0.56
GAA P10253 1/20 0.56
CYP2D6 P10635 2/20 0.54
MITF O75030 1/20 0.53
PKM P14618 1/20 0.52

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
SCHEMBL3835859 0.88 MAPT (0.70) ALDH1A1MAPTKMT2AWDR5GAA
SCHEMBL30879000 0.86 WDR5 (0.73) ALDH1A1WDR5GAACYP2D6
SCHEMBL282334 0.86 WDR5 (0.73) ALDH1A1WDR5GAACYP2D6
SCHEMBL10126932 0.85 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AWDR5GAA
SCHEMBL22547352 0.80 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ACYP2D6
SCHEMBL1841763 0.79 TDP1 (0.68) ALDH1A1MAPTKMT2AWDR5GAA
SCHEMBL10126930 0.78 WDR5 (0.61) ALDH1A1KMT2AWDR5GAACYP2D6
SCHEMBL899660 0.77 ADRB1 (0.58) ALDH1A1KMT2AWDR5GAACYP2D6
SCHEMBL30984739 0.77 ADRB1 (0.58) ALDH1A1KMT2AWDR5GAACYP2D6
SCHEMBL24451857 0.77 ALDH1A1 (0.45) ALDH1A1MAPTKMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526486-B1 NON-LINEAR OPTICAL DEVICE SECR DEFENCE BRIT (GB) 1996-07-31 EP disclosed
US-5352388-A Crystalline second harmonic generator material comprising salt of organic nitrogenous base and optically active enantiomer of chiral carboxylic acid mounted in optical path of laser THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDON OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1994-10-04 US disclosed
EP-0526486-A1 NON-LINEAR OPTICAL DEVICE. SECR DEFENCE BRIT (GB) 1993-02-10 EP disclosed
WO-1991016657-A1 NON-LINEAR OPTICAL DEVICE THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-10-31 WO disclosed