SCHEMBL8285266

SCHEMBL8285266

O=C(CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.57
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE4B Q07343 1/20 0.36
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 4/20 0.34
NAAA Q02083 1/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
PKM P14618 2/20 0.33
RAB9A P51151 2/20 0.33
STAT1 P42224 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
FABP4 P15090 1/20 0.33
RBP4 P02753 1/20 0.33

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
SCHEMBL8285254 0.88 PDE11A (0.59) PDE11AKMT2AMEN1ALDH1A1GAA
SCHEMBL8285257 0.86 PDE11A (0.57) PDE11AKMT2AMEN1ALDH1A1GAA
SCHEMBL8285263 0.85 PDE11A (0.56) PDE11AKMT2AMEN1GAAMAPT
SCHEMBL8286114 0.85 PDE11A (0.53) PDE11AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8362903 0.84 PDE11A (0.56) PDE11AKMT2AMEN1ALDH1A1GAA
SCHEMBL8285280 0.84 PDE11A (0.56) PDE11AKMT2ATDP1MEN1ALDH1A1
SCHEMBL8285258 0.84 PDE11A (0.55) PDE11AKMT2AMEN1ALDH1A1GAA
SCHEMBL8287112 0.83 PDE11A (0.57) PDE11AKMT2AMEN1ALDH1A1GAA
SCHEMBL8287467 0.80 PDE11A (0.45) PDE11AKMT2ANPC1TDP1PDE4B
SCHEMBL8285287 0.80 PDE11A (0.63) PDE11AKMT2ATDP1MEN1ALDH1A1

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