SCHEMBL10403263

SCHEMBL10403263

CCCOc1c2ccccc2c(OCCC)c2cc(S(=O)(=O)OCc3ccccc3[N+](=O)[O-])ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MAOB P27338 1/20 0.38
KMT2A Q03164 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 4/20 0.35
MAPK1 P28482 3/20 0.35
RAF1 P04049 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL12595122 0.95 MAOB (0.40) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL4905251 0.91 MAOB (0.40) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL10404455 0.87 HTR1A (0.40) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL9304464 0.83 MEN1 (0.41) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL12595121 0.78 MEN1 (0.42) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL244116 0.75 ALDH1A1 (0.49) MAOBKMT2ARAB9ACA12ALDH1A1
SCHEMBL59186 0.74 ALDH1A1 (0.49) MAPTMAOBKMT2ARAB9ACA12
SCHEMBL31233774 0.74 MEN1 (0.42) MAOBKMT2ARAB9ACA12CA9
SCHEMBL1109650 0.74 MEN1 (0.42) MAOBKMT2ARAB9ACA12CA9
SCHEMBL5527025 0.72 MMP1 (0.53) MAPTHTR1AADRA1DADRA1AADRA1B

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
US-4963463-A Radiation-sensitive resin composition with admixtures of O-quinone diazide and acid esters having nitrobenzyl or cyanobenzyl group JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1990-10-16 US claimed
EP-0330406-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-08-30 EP claimed
US-4963463-A Radiation-sensitive resin composition with admixtures of O-quinone diazide and acid esters having nitrobenzyl or cyanobenzyl group JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1990-10-16 US disclosed
EP-0330406-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-08-30 EP disclosed