SCHEMBL8286489

SCHEMBL8286489

O=C(c1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 6/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM5 P41594 1/20 0.35
LMNA P02545 2/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HPGDS O60760 1/20 0.34
GAA P10253 2/20 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
SCHEMBL8287526 0.86 MAPK13 (0.38) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8286468 0.84 GSK3B (0.38) ALDH1A1MAPTPOLBKDM4ENPC1
SCHEMBL8287593 0.84 GSK3B (0.37) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8287205 0.83 GSK3B (0.37) PDE11A
SCHEMBL8286472 0.81 EGFR (0.46) ALDH1A1MAPTPOLBKDM4ENPC1
SCHEMBL8285291 0.81 GABRA1 (0.40) ALDH1A1MAPTPOLBKDM4ENPC1
SCHEMBL8362924 0.80 GSK3B (0.39) ALDH1A1MAPTRAB9AMAPK1RXFP1
SCHEMBL8286508 0.80 LOXL3 (0.42) ALDH1A1TDP1POLBKDM4ESMN1; SMN2
SCHEMBL8287920 0.80 CSF1R (0.37) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8287968 0.79 RIPK1 (0.41) MAPTNPC1RAB9ARXFP1

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