SCHEMBL11766321

SCHEMBL11766321

CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.69
TDP1 Q9NUW8 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
BCHE P06276 5/20 0.63
SNCA P37840 5/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
P2RX4 Q99571 1/20 0.47
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
UBE2N P61088 1/20 0.40
ACHE P22303 2/20 0.40
CDC25C P30307 1/20 0.39

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
SCHEMBL7194601 0.83 MEN1 (0.78) MAPK1TDP1L3MBTL1KMT2AMEN1
SCHEMBL9009195 0.82 TDP1 (0.76) MAPK1TDP1L3MBTL1KMT2AMEN1
SCHEMBL3141773 0.82 MAPK1 (0.76) MAPK1TDP1L3MBTL1KMT2AMEN1
SCHEMBL29406737 0.82 MEN1 (1.00) MAPK1TDP1L3MBTL1KMT2AMEN1
SCHEMBL388483 0.82 MEN1 (1.00) MAPK1TDP1L3MBTL1KMT2AMEN1
SCHEMBL9009137 0.80 MEN1 (0.72) MAPK1TDP1L3MBTL1KMT2AMEN1
SCHEMBL10490281 0.78 BCHE (1.00) MAPK1KMT2ABCHESNCAMAPT
SCHEMBL11143818 0.78 MEN1 (0.90) MAPK1TDP1L3MBTL1KMT2AMEN1
SCHEMBL9100414 0.77 MEN1 (0.83) MAPK1TDP1L3MBTL1KMT2AMEN1
SCHEMBL9008999 0.77 L3MBTL1 (0.67) MAPK1TDP1L3MBTL1KMT2AMEN1

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-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 US disclosed