SCHEMBL9799681

SCHEMBL9799681

COC(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.79
KMT2A Q03164 8/20 0.79
MAPT P10636 6/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
RAB9A P51151 3/20 0.72
NPC1 O15118 2/20 0.72
ALDH1A1 P00352 2/20 0.72
LMNA P02545 2/20 0.72
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
POLB P06746 2/20 0.70
BLM P54132 1/20 0.70
KDM4E B2RXH2 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
SETD7 Q8WTS6 3/20 0.62
DDX3X O00571 1/20 0.60
HTT P42858 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL9799650 0.91 MEN1 (0.90) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL9329754 0.90 MEN1 (0.85) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL1337652 0.88 MAPT (0.77) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL16494872 0.88 MEN1 (0.81) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL8710919 0.87 MEN1 (0.80) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL11572673 0.85 MEN1 (0.76) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL9800017 0.85 GAA (0.77) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6795867 0.84 MEN1 (0.85) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL13698359 0.84 MEN1 (0.91) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL11710023 0.84 RAB9A (0.76) MEN1KMT2AMAPTSMN1; SMN2RAB9A

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-0277376-B1 AROMATIC AMIDE GROUPS-CONTAINING DIAMINES AND POLYMERS IN WHICH THESE DIAMINES ARE INCORPORATED AKZO N.V. (NL) 1991-02-27 EP disclosed
US-4980444-A Polyamides, polyureas, polyimides; heat resistance, melt processability, high strength fibers, films AKZO N.V. (NL) 1990-12-25 US disclosed
US-4851562-A HEAT RESISTANCE, MELT PROCESS ABILITY AKZO N.V. (NL) 1989-07-25 US disclosed
EP-0277376-A1 Aromatic amide groups-containing diamines and polymers in which these diamines are incorporated AKZO N.V. (NL) 1988-08-10 EP disclosed