SCHEMBL7044016

SCHEMBL7044016

NN(c1ccccc1)c1cccc2nc3ccccc3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 5/20 0.56
GLA P06280 4/20 0.56
HPGD P15428 4/20 0.56
GAA P10253 4/20 0.56
RAB9A P51151 4/20 0.56
KDM4E B2RXH2 4/20 0.56
POLB P06746 3/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 2/20 0.56
PTBP1 P26599 1/20 0.56
RCE1 Q9Y256 1/20 0.56
MAPT P10636 4/20 0.47
ACHE P22303 2/20 0.47
HTR3A P46098 1/20 0.41
IDO1 P14902 1/20 0.39
NQO2 P16083 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL29202173 0.82 ALDH1A1 (0.55) ALDH1A1KMT2AGLAHPGDGAA
SCHEMBL2163853 0.80 SIGMAR1 (0.49) ALDH1A1HPGDHSD17B10TDP1TSHR
SCHEMBL30100561 0.80 SIGMAR1 (0.49) ALDH1A1HPGDHSD17B10TDP1TSHR
SCHEMBL93696 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AGLAHPGDGAA
SCHEMBL2872359 0.79 KDM4E (0.55) ALDH1A1KMT2AGLAHPGDGAA
Hydrochloric Acid SCHEMBL28229055 0.78 SIGMAR1 (0.47) ALDH1A1HPGDHSD17B10TDP1TSHR
Bromide SCHEMBL8003449 0.77 KDM4E (0.53) ALDH1A1KMT2AGLAHPGDGAA
Hydrochloric Acid SCHEMBL8003436 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AGLAHPGDGAA
SCHEMBL6652646 0.76 ALDH1A1 (0.47) ALDH1A1KMT2AGLAHPGDGAA
SCHEMBL9755385 0.76 ALDH1A1 (0.47) ALDH1A1KMT2AGLAHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019722-B1 POLYMERIC FLUOROPHORES ENHANCED BY MOIETIES PROVIDING A HYDROPHOBIC AND CONFORMATIONALLY RESTRICTIVE MICROENVIRONMENT ABBOTT LAB (US) 2003-04-09 EP claimed
EP-1019722-A1 POLYMERIC FLUOROPHORES ENHANCED BY MOIETIES PROVIDING A HYDROPHOBIC AND CONFORMATIONALLY RESTRICTIVE MICROENVIRONMENT Abbott Laboratories (US) 2000-07-19 EP claimed
WO-1997028447-A1 POLYMERIC FLUOROPHORES ENHANCED BY MOIETIES PROVIDING A HYDROPHOBIC AND CONFORMATIONALLY RESTRICTIVE MICROENVIRONMENT ABBOTT LABORATORIES (US) 1997-08-07 WO claimed
EP-1019722-A1 POLYMERIC FLUOROPHORES ENHANCED BY MOIETIES PROVIDING A HYDROPHOBIC AND CONFORMATIONALLY RESTRICTIVE MICROENVIRONMENT Abbott Laboratories (US) 2000-07-19 EP disclosed
WO-1997028447-A1 POLYMERIC FLUOROPHORES ENHANCED BY MOIETIES PROVIDING A HYDROPHOBIC AND CONFORMATIONALLY RESTRICTIVE MICROENVIRONMENT ABBOTT LABORATORIES (US) 1997-08-07 WO disclosed