SCHEMBL9533688

SCHEMBL9533688

O=c1[nH]nc2c3ccccc3occ1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NISCH Q9Y2I1 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
MIF P14174 1/20 0.40
PRMT5 O14744 1/20 0.40
PTPN1 P18031 1/20 0.40
PDGFRB P09619 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
CSF1R P07333 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 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
SCHEMBL8787064 0.78 NISCH (0.50) NISCHMAOBMAOAMIFPTPN1
SCHEMBL30633818 0.78 SIRT1 (0.47) NISCHMAOBMAOAMIFPTPN1
SCHEMBL8788100 0.72 IDO1 (0.47) NISCHPDGFRBMAPTMEN1CSF1R
SCHEMBL9537479 0.71 PDE4A (0.46) NISCHPDE4APDE4BPDE4CPDE4D
SCHEMBL2490828 0.69 CHRM2 (0.50) NISCHMAOBMAOAMIFPTPN1
SCHEMBL30272065 0.68 PDGFRB (0.53) ATMNPSR1PDE4APDE4BPDE4C
SCHEMBL17337955 0.68 PDGFRB (0.53) ATMNPSR1PDE4APDE4BPDE4C
SCHEMBL4514403 0.67 KDM4E (0.41) NISCHMAOBMAOAMIFPTPN1
SCHEMBL8787874 0.67 NISCH (0.51) NPSR1NISCHMAOBMAOAMIF
SCHEMBL9833385 0.67 ATM (0.46) ATMNPSR1PDE4APDE4BPDE4C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991012255-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-22 WO disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed
WO-1990001481-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1990-02-22 WO disclosed