SCHEMBL12613696

SCHEMBL12613696

Nc1ccc([N+](=O)[O-])cc1N.O=[N+]([O-])c1cc(O)ccc1NCCCO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 6/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 3/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
ATM Q13315 1/20 0.49
PKM P14618 2/20 0.47
PRSS1 P07477 4/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KAT2B Q92831 3/20 0.45
TSHR P16473 2/20 0.44

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
SCHEMBL111519 0.88 PRSS1 (0.55) ALDH1A1MAPTKDM4ETDP1PKM
SCHEMBL6233037 0.85 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL6232719 0.84 ALDH1A1 (0.65) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL14364287 0.80 MAPT (0.60) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL1814295 0.80 ALDH1A1 (0.55) ALDH1A1MAPTTDP1PKMPRSS1
SCHEMBL29410422 0.79 ALDH1A1 (0.63) ALDH1A1MAPTTDP1KMT2APKM
SCHEMBL24055 0.79 ALDH1A1 (0.63) ALDH1A1MAPTTDP1KMT2APKM
SCHEMBL9820097 0.79 PRSS1 (0.57) ALDH1A1MAPTTDP1PKMPRSS1
Bromide SCHEMBL28440810 0.78 ALDH1A1 (0.62) ALDH1A1MAPTTDP1KMT2APKM
3-Nitro-Phenol SCHEMBL7120003 0.78 PKM (0.67) ALDH1A1MAPTKDM4ETDP1KMT2A

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-3854376-A2 SYSTEMS FOR CUSTOM COLORATION Coloright Ltd. (IL) 2021-07-28 EP disclosed
EP-2688549-B1 SYSTEMS FOR CUSTOM COLORATION COLORIGHT LTD (IL) 2020-07-29 EP disclosed
EP-2688549-A2 SYSTEMS FOR CUSTOM COLORATION Coloright Ltd. (IL) 2014-01-29 EP disclosed
WO-2012127429-A2 SYSTEMS FOR CUSTOM COLORATION COLORIGHT LTD. (IL) 2012-09-27 WO disclosed