SCHEMBL5333040

SCHEMBL5333040

CCc1cc(-c2n[nH]cc2-c2nc3ccccc3n2C)c(O)cc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.69
KDM4E B2RXH2 7/20 0.69
LMNA P02545 2/20 0.69
PAX8 Q06710 1/20 0.69
MAPT P10636 2/20 0.64
HPGD P15428 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSP90AA1 P07900 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL14396045 0.82 GAA (1.00) GAAKDM4ELMNAPAX8MAPT
SCHEMBL5271241 0.76 HSP90AA1 (0.49) GAAKDM4ELMNAPAX8MAPT
SCHEMBL14396303 0.76 GAA (1.00) GAAKDM4ELMNAPAX8MAPT
SCHEMBL687680 0.75 ILK (0.64) GAAKDM4ELMNAPAX8MAPT
SCHEMBL26518519 0.71 KDM4E (0.54) GAAKDM4ELMNAPAX8MAPT
SCHEMBL4310608 0.71 GAA (0.41) GAAKDM4ELMNAPAX8MAPT
SCHEMBL4387592 0.71 RECQL (0.55) GAAKDM4ELMNAPAX8MAPT
SCHEMBL13707078 0.70 HSP90AA1 (0.45) GAAKDM4ELMNAPAX8MAPT
SCHEMBL5270664 0.69 MAPT (0.47) GAAKDM4ELMNAPAX8MAPT
SCHEMBL14456100 0.69 MAPT (0.50) GAAKDM4ELMNAMAPTHPGD

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
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 US disclosed