SCHEMBL6506443

SCHEMBL6506443

FC(F)(F)c1cc(Cl)nc(Cl)c1CC=C(Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
XPO1 O14980 2/20 0.34
HTT P42858 2/20 0.34
MAOB P27338 1/20 0.34
USP2 O75604 1/20 0.34
FAAH O00519 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
NAMPT P43490 1/20 0.33
IGF1R P08069 2/20 0.32
GRM4 Q14833 1/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32

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
SCHEMBL5872153 0.75 HTT (0.39) PPARGXPO1HTTMAOBUSP2
SCHEMBL6506357 0.69 KEAP1 (0.39) PPARGHTTUSP2FAAHKMT2A
SCHEMBL7043686 0.69 NOTUM (0.33) XPO1
SCHEMBL29236658 0.69 AR (0.32) XPO1
SCHEMBL19018008 0.64 CTSK (0.36) MAPTALDH1A1
SCHEMBL8287314 0.61 TAAR1 (0.49) HTTUSP2KMT2AMEN1RAB9A
SCHEMBL30449773 0.60 BACE1 (0.64) HTTMAOBUSP2IGF1RMAPT
SCHEMBL895250 0.60 BACE1 (0.64) HTTMAOBUSP2IGF1RMAPT
SCHEMBL1787999 0.60 NOTUM (0.35) XPO1
SCHEMBL14862574 0.60 TSHR (0.50) HTTKMT2AMEN1RAB9AALDH1A1

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed