SCHEMBL9799650

SCHEMBL9799650

COC(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.90
KMT2A Q03164 9/20 0.90
MAPT P10636 4/20 0.82
POLB P06746 2/20 0.82
BLM P54132 1/20 0.82
SETD7 Q8WTS6 2/20 0.66
RAB9A P51151 5/20 0.65
ALDH1A1 P00352 3/20 0.65
NPC1 O15118 3/20 0.65
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
CYP2C19 P33261 1/20 0.63
TP53 P04637 1/20 0.60
KDM4E B2RXH2 1/20 0.59

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
SCHEMBL9799681 0.91 MEN1 (0.79) MEN1KMT2AMAPTPOLBBLM
SCHEMBL32690121 0.90 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL18300094 0.90 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL9799705 0.88 MEN1 (0.74) MEN1KMT2AMAPTPOLBBLM
SCHEMBL10943066 0.87 KMT2A (0.94) MEN1KMT2AMAPTPOLBBLM
SCHEMBL16494872 0.87 MEN1 (0.81) MEN1KMT2AMAPTPOLBBLM
SCHEMBL13698359 0.86 MEN1 (0.91) MEN1KMT2AMAPTPOLBBLM
SCHEMBL1337428 0.86 MEN1 (0.76) MEN1KMT2AMAPTPOLBBLM
SCHEMBL1572442 0.84 MEN1 (0.76) MEN1KMT2AMAPTPOLBSETD7
SCHEMBL31103641 0.84 MEN1 (0.76) MEN1KMT2AMAPTPOLBSETD7

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