SCHEMBL9912394

SCHEMBL9912394

COC(=O)c1ccc(-c2nc(-c3cc(C(=O)OC)ccc3O)nc(-c3ccccc3N=O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
MAPT P10636 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
XDH P47989 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
IDO1 P14902 1/20 0.42
KDM4A O75164 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
GAA P10253 2/20 0.42
ERN1 O75460 2/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL9608454 0.88 MAPT (0.57) EGFRMAPTMEN1KMT2ANPSR1
SCHEMBL12228470 0.87 EGFR (0.60) EGFRMAPTMEN1KMT2ANPSR1
SCHEMBL9608456 0.82 MAPT (0.54) EGFRMAPTMEN1KMT2ANPSR1
SCHEMBL9608434 0.82 MAPT (0.58) EGFRMAPTMEN1KMT2ANPSR1
SCHEMBL15910001 0.81 MAPT (0.60) EGFRMAPTMEN1KMT2ANPSR1
SCHEMBL9608388 0.81 MAPT (0.60) EGFRMAPTMEN1KMT2ANPSR1
SCHEMBL12228469 0.81 EGFR (0.56) EGFRMAPTMEN1KMT2ANPSR1
SCHEMBL9608450 0.80 MAPT (0.57) EGFRMAPTMEN1KMT2ANPSR1
SCHEMBL9608462 0.80 MAPT (0.56) EGFRMAPTMEN1KMT2ANPSR1
SCHEMBL9608419 0.79 MEN1 (0.53) EGFRMAPTMEN1KMT2ANPSR1

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
EP-2460799-A1 NEW TRIAZINE DERIVATIVE, ULTRAVIOLET ABSORBER, AND RESIN COMPOSITION FUJIFILM Corporation (JP) 2012-06-06 EP disclosed