SCHEMBL30009634

SCHEMBL30009634

COc1ccc(N)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.51
PLAU P00749 2/20 0.50
KEAP1 Q14145 1/20 0.50
PLG P00747 1/20 0.49
PLAT P00750 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47

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
SCHEMBL28920300 1.00 NFE2L2 (0.51) NFE2L2PLAUKEAP1PLGPLAT
SCHEMBL20557970 0.82 MAOB (0.60) NFE2L2PLAUKEAP1PLGPLAT
SCHEMBL30469306 0.82 MAOB (0.60) NFE2L2PLAUKEAP1PLGPLAT
SCHEMBL28255761 0.81 TDO2 (0.55) CA1CA2CA9MAPTKMT2A
SCHEMBL6570708 0.80 ALDH1A1 (0.62) TDP1MEN1MAPTKMT2AALDH1A1
SCHEMBL8477184 0.80 PLAU (0.62) NFE2L2PLAUKEAP1PLGPLAT
SCHEMBL3011163 0.79 PLAU (0.68) NFE2L2PLAUKEAP1PLGPLAT
Hydrochloric Acid SCHEMBL6572022 0.79 ALDH1A1 (0.61) TDP1MEN1MAPTKMT2AALDH1A1
SCHEMBL3790187 0.79 CYP3A4 (0.58) PLAUHTTMEN1MAPTKMT2A
SCHEMBL2717128 0.79 ALDH1A1 (0.55) MEN1MAPTKMT2AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115356315-A Method for detecting hydrogen sulfide by fluorane derivative probe 沈阳感光化工研究院有限公司 2022-11-18 CN disclosed