SCHEMBL7804682

SCHEMBL7804682

Cc1c(-c2ccc(O)c(C3CCCCC3)c2)cccc1C(c1ccccc1O)c1cccc(-c2ccc(O)c(C3CCCCC3)c2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PTPN5 P54829 4/20 0.36
PTPN2 P17706 1/20 0.36
PTGS2 P35354 1/20 0.36
CAMKK2 Q96RR4 4/20 0.35
ABL1 P00519 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CAMKK1 Q8N5S9 3/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
APP P05067 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7804684 0.83 NUDT1 (0.39) NUDT1BACE1HSP90AA1PTGS2CAMKK2
Ethane SCHEMBL28854299 0.80 CAMKK2 (0.46) NUDT1BACE1HSP90AA1PTPN5PTPN2
SCHEMBL9138960 0.78 GABRA1 (0.34) NUDT1BACE1HSP90AA1PTPN5PTPN2
SCHEMBL30899209 0.77 NUDT1 (0.46) NUDT1BACE1HSP90AA1MEN1KMT2A
SCHEMBL29375864 0.77 NUDT1 (0.46) NUDT1BACE1HSP90AA1MEN1KMT2A
SCHEMBL761684 0.77 NUDT1 (0.46) NUDT1BACE1HSP90AA1MEN1KMT2A
Ethane SCHEMBL28278519 0.77 PTPN5 (0.46) NUDT1BACE1HSP90AA1PTPN5PTPN2
SCHEMBL757158 0.76 NUDT1 (0.37) NUDT1BACE1HSP90AA1MEN1LMNA
SCHEMBL29375612 0.76 NUDT1 (0.37) NUDT1BACE1HSP90AA1MEN1LMNA
SCHEMBL30127784 0.76 NUDT1 (0.37) NUDT1BACE1HSP90AA1MEN1LMNA

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
US-6316170-B2 COATING, EXPOSURE, DEVELOPMENT AND HEAT TREATMENT KABUSHIKI KAISHA TOSHIBA (JP) 2001-11-13 US disclosed
US-20010006767-A1 Developing solution and method of forming polyimide pattern by using the developing solution YOSHIAKI KAWAMONZEN 2001-07-05 US disclosed