SCHEMBL8556290

SCHEMBL8556290

COc1cccc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
TP53 P04637 2/20 0.51
PTPN2 P17706 2/20 0.47
PTPN1 P18031 2/20 0.47
PTPN5 P54829 2/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GGT1 P19440 1/20 0.44
PGR P06401 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SLC40A1 Q9NP59 2/20 0.43
PLAU P00749 1/20 0.43
GLO1 Q04760 1/20 0.43
HSPD1 P10809 1/20 0.43
HSPE1 P61604 1/20 0.43

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
SCHEMBL8556104 0.92 ALDH1A1 (0.48) MAPTTP53PTPN2PTPN1PTPN5
SCHEMBL8553397 0.89 ALDH1A1 (0.49) MAPTTP53PTPN2PTPN1PTPN5
SCHEMBL8555498 0.86 ALDH1A1 (0.49) MAPTPTPN2PTPN1PTPN5ALDH1A1
SCHEMBL8556764 0.86 MAPT (0.54) MAPTPTPN2PTPN1PTPN5ALDH1A1
SCHEMBL8559957 0.86 MAPT (0.47) MAPTTP53ALDH1A1NPC1RAB9A
SCHEMBL9026442 0.85 ALDH1A1 (0.46) MAPTTP53PTPN2PTPN1PTPN5
SCHEMBL8555138 0.84 PGR (0.50) MAPTTP53PTPN2PTPN1ALDH1A1
SCHEMBL8556526 0.84 MAPT (0.46) MAPTPTPN2PTPN1PTPN5ALDH1A1
SCHEMBL8557661 0.84 ALDH1A1 (0.45) MAPTTP53ALDH1A1GGT1PGR
SCHEMBL8560689 0.84 ALDH1A1 (0.45) MAPTTP53ALDH1A1NPC1RAB9A

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed