SCHEMBL9542072

SCHEMBL9542072

CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1N(C)c1ccc(OC)cc1.CCOc1cc2c(Nc3ccc(OC)cc3)c(CO)cnc2nc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
MAPT P10636 13/20 0.42
GAA P10253 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
SLC2A1 P11166 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
CLK1 P49759 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8565268 0.88 DPP4 (0.42) MAPTGAANPSR1SMN1; SMN2MEN1
SCHEMBL8563461 0.85 PDE4B (0.41) PDE4BMAPTNPSR1SMN1; SMN2MEN1
SCHEMBL8563378 0.84 PDE4B (0.59) PDE4BMAPTGAANPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL811230 0.83 PDE4B (0.58) PDE4BMAPTGAANPSR1SMN1; SMN2
SCHEMBL8559696 0.80 KDM4E (0.41) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8558688 0.80 PDE4B (0.60) PDE4BMAPTGAANPSR1SMN1; SMN2
SCHEMBL8559604 0.79 MAPT (0.62) PDE4BMAPTGAASMN1; SMN2THRB
SCHEMBL8569260 0.78 PDE4B (0.56) PDE4BMAPTGAANPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL8565121 0.78 PDE4B (0.58) PDE4BMAPTGAANPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL8561142 0.78 MAPT (0.61) PDE4BMAPTGAASMN1; SMN2THRB

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-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed