SCHEMBL8285207

SCHEMBL8285207

CNC(=O)CCc1cc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2nc1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.38
MAPT P10636 5/20 0.38
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR4A2 P43354 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAT2A P31153 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.34
MTNR1A P48039 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL8287884 0.92 TP53 (0.44) MAPTTP53RXFP1SMN1; SMN2KMT2A
SCHEMBL5911507 0.91 PLA2G4A (0.40) PDE11AMAPTHDAC6KMT2AMEN1
SCHEMBL8285190 0.90 PDE11A (0.39) PDE11AMAPTTP53RXFP1KMT2A
SCHEMBL8287111 0.89 PDE11A (0.39) PDE11AMAPTTP53RXFP1SMN1; SMN2
SCHEMBL8287185 0.89 PDE11A (0.38) PDE11AMAPTTP53ALDH1A1GAA
SCHEMBL8285208 0.88 MAT2A (0.38) PDE11AMAPTTP53RXFP1NR4A2
SCHEMBL8287888 0.87 KDM4E (0.44) PDE11AMAPTHDAC6SMN1; SMN2ALDH1A1
SCHEMBL8285219 0.86 PDE11A (0.39) PDE11ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8287927 0.85 NPC1 (0.41) PDE11AMAPTKMT2AALDH1A1GAA
SCHEMBL8287150 0.85 PDE11A (0.40) PDE11AMAPTSMN1; SMN2KMT2AMEN1

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
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
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed