SCHEMBL8668405

SCHEMBL8668405

CCOP(=O)(Cc1ccc(C(=O)Nc2nc3c(s2)-c2ccccc2C3)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 10/20 0.40
SMN1; SMN2 Q16637 9/20 0.40
NPC1 O15118 8/20 0.40
RAB9A P51151 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 4/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 6/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 6/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 3/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
APAF1 O14727 2/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL8673476 0.91 CCNT1 (0.36) HDAC1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8667747 0.85 MAPT (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8665878 0.85 MAPT (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8666212 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL8670710 0.81 CCNT1 (0.36) HDAC1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8101770 0.77 NPC1 (0.61) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8667772 0.76 ADORA1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8667035 0.75 MAPT (0.45) HDAC1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8671673 0.73 MAPT (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8095923 0.72 NPSR1 (0.53) HDAC1ALDH1A1SMN1; SMN2NPC1RAB9A

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-0638581-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP disclosed
US-5480874-A THIAZOLE AND IMIDAZOLE DERIVATIVES; ANTIHYPERLIPIDEMICS AND HYPOGLYCEMICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-01-02 US disclosed
EP-0638581-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-15 EP disclosed