SCHEMBL10784333

SCHEMBL10784333

CCCCOc1cc(-c2ccc(OC)cc2)c(OCCCC)cc1[N+]#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.38
PTPN1 P18031 1/20 0.38
SYK P43405 2/20 0.38
MGAM O43451 4/20 0.38
GAA P10253 4/20 0.38
SI P14410 4/20 0.38
MGAM2 Q2M2H8 4/20 0.38
AHR P35869 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL8974916 0.80 NQO1 (0.44) GAAMAPTHPGDL3MBTL1LMNA
Nitrogen SCHEMBL10784339 0.78 SYK (0.49) BACE1PTGDR2PTPN1SYKGAA
Hydrochloric Acid SCHEMBL3805858 0.78 NQO1 (0.42) GAAMAPTHPGDL3MBTL1TSHR
SCHEMBL22561127 0.77 CNR2 (0.43) BACE1SYKMGAMGAASI
SCHEMBL8988230 0.75 ADORA3 (0.41) PTGDR2SYKGAAMAPTHPGD
SCHEMBL92107 0.74 LTA4H (0.41) GAAMAPTL3MBTL1TSHR
Sulfuric Acid SCHEMBL5679930 0.73 CA12 (0.41) GAAMAPTL3MBTL1LMNATSHR
SCHEMBL9781147 0.72 PTPN11 (0.37) PTPN1MAPTHPGDL3MBTL1CNR2
SCHEMBL28177324 0.72 CYP11B1 (0.44) BACE1SYKMAPTHPGDATM
SCHEMBL7580611 0.72 MAPT (0.44) MGAMGAASIMGAM2MAPT

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-0080241-B1 DIAZOTYPE MATERIAL Océ-Nederland B.V. (NL) 1987-09-09 EP disclosed
US-4471043-A Diazotype material Oc/e/ -Nederland B.V. (NL) 1984-09-11 US disclosed
EP-0080241-A2 Diazotype material Océ-Nederland B.V. (NL) 1983-06-01 EP disclosed