SCHEMBL9044708

SCHEMBL9044708

COc1ccccc1NC(=O)c1c(O)c2cccnc2n(-c2ccccc2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 4/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NLRP3 Q96P20 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PIM1 P11309 1/20 0.44
LIMK1 P53667 1/20 0.44

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
SCHEMBL9044545 0.86 KDM4E (0.57) HPGDHSD17B10NPC1RAB9AMEN1
SCHEMBL3516933 0.86 HPGD (0.56) HPGDHSD17B10NPC1RAB9AMEN1
SCHEMBL9043908 0.85 MAPT (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9046046 0.84 KMT2A (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9044585 0.84 TOP2A (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9046763 0.84 EGFR (0.55) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL9045112 0.82 FEN1 (0.51) HPGDNPC1RAB9AMAPTTP53
SCHEMBL9046358 0.82 KDM4E (0.48) HPGDHSD17B10NPC1RAB9AMEN1
SCHEMBL9043358 0.82 RAB9A (0.60) HPGDHSD17B10NPC1RAB9AMEN1
SCHEMBL9047155 0.81 MEN1 (0.56) HPGDNPC1RAB9AMEN1KMT2A

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-0452873-B1 1,8-Naphthyridin-2-one derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-03 EP disclosed
US-5126341-A Treatment of rheumarthritis KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-06-30 US disclosed
EP-0452873-A1 1,8-Naphthyridin-2-one derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-23 EP disclosed