SCHEMBL8286557

SCHEMBL8286557

O=C(CCc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.38
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 4/20 0.37
GRM5 P41594 1/20 0.36
PDE11A Q9HCR9 1/20 0.35
FFAR1 O14842 1/20 0.35
MEN1 O00255 2/20 0.34
PKM P14618 2/20 0.34
RAB9A P51151 2/20 0.34
STAT1 P42224 1/20 0.34
PARP1 P09874 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 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
SCHEMBL8286455 0.87 PLA2G4A (0.37) NPC1PDE11AFFAR1RAB9AGAA
SCHEMBL8287273 0.85 PDE11A (0.34) ALDH1A1PDE11AKDM4EGAA
SCHEMBL8287259 0.85 GAA (0.34) KMT2AALDH1A1PDE11AMEN1MAPT
SCHEMBL8286560 0.85 MAPT (0.39) NPC1ALDH1A1TP53MAPTKDM4E
SCHEMBL8287270 0.85 HSD11B1 (0.40) PDE11AMAPTGAA
SCHEMBL8286552 0.84 CCNC (0.37) KMT2AALDH1A1PDE11AMEN1RAB9A
SCHEMBL8287263 0.84 TSHR (0.40) TDP1KMT2AALDH1A1PDE11AMEN1
SCHEMBL8287262 0.84 HSD11B1 (0.46) KMT2AALDH1A1PDE11AMEN1MAPT
SCHEMBL8286184 0.83 ALDH1A1 (0.39) KMT2AALDH1A1GRM5RAB9ATP53
SCHEMBL8286554 0.81 ALDH1A1 (0.35) KMT2AALDH1A1PDE11AMEN1MAPT

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