SCHEMBL7043192

SCHEMBL7043192

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 1.00
MPO P05164 1/20 0.63
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
HPGD P15428 1/20 0.60
ALOX12 P18054 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ABCG2 Q9UNQ0 6/20 0.55
TRPV1 Q8NER1 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
GRIK1 P39086 1/20 0.53
IDH2 P48735 1/20 0.51
EGFR P00533 1/20 0.51
ARNT P27540 1/20 0.50
EPAS1 Q99814 1/20 0.50

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
SCHEMBL16208490 0.89 KIF11 (0.81) KIF11MPOMEN1LMNAMAPT
SCHEMBL6841678 0.88 KIF11 (0.78) KIF11MPOMEN1LMNAMAPT
SCHEMBL12266442 0.85 KIF11 (0.74) KIF11MPOMEN1LMNAMAPT
SCHEMBL16230308 0.84 KIF11 (0.71) KIF11MEN1LMNAMAPTKMT2A
SCHEMBL27542233 0.84 KIF11 (0.72) KIF11MPOMEN1LMNAMAPT
SCHEMBL20049529 0.84 HPGD (0.78) KIF11MEN1LMNAMAPTKMT2A
SCHEMBL1921482 0.83 KIF11 (0.70) KIF11MAPTIDH2
SCHEMBL17103677 0.83 TRPV1 (0.72) KIF11MPOMEN1LMNAMAPT
SCHEMBL29572518 0.83 TRPV1 (0.72) KIF11MPOMEN1LMNAMAPT
SCHEMBL5459758 0.82 KIF11 (0.69) KIF11MEN1LMNAMAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432710-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
US-6677352-B1 1,6-naphthyridine derivatives and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION 2004-01-13 US disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed