SCHEMBL9807445

SCHEMBL9807445

CC(C)c1cc(-c2ccccc2N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc(C(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.53
RECQL P46063 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTPRC P08575 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CES1 P23141 1/20 0.45
S100A4 P26447 1/20 0.45
CA9 Q16790 3/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
SCN2A Q99250 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ANPEP P15144 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL9807432 0.84 CA12 (0.55) CA12RECQLMEN1KMT2APTPRC
SCHEMBL9807407 0.83 CA12 (0.55) CA12RECQLMEN1KMT2APTPRC
SCHEMBL9807403 0.82 CA12 (0.58) CA12RECQLMEN1KMT2APTPRC
SCHEMBL9807443 0.82 CA12 (0.58) CA12MEN1KMT2ACA9SCN2A
SCHEMBL9807393 0.80 CA12 (0.64) CA12RECQLMEN1KMT2APTPRC
SCHEMBL9113889 0.79 CA12 (0.72) CA12RECQLMEN1KMT2APTPRC
SCHEMBL9807417 0.78 CA12 (0.48) CA12RECQLMEN1KMT2ACA9
SCHEMBL9807433 0.78 CA12 (0.53) CA12RECQLMEN1KMT2APTPRC
SCHEMBL9807424 0.77 CA12 (0.55) CA12RECQLMEN1KMT2APTPRC
SCHEMBL2820307 0.76 ANPEP (0.63) CA12PTPRCBCHEACHECES1

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
US-4994545-A Polyetherimide ETHYL CORPORATION (US) 1991-02-19 US disclosed
US-4990627-A Polyetherimides and their production ETHYL CORPORATION (US) 1991-02-05 US disclosed