SCHEMBL28720694

SCHEMBL28720694

Cc1ccc2c(oc3ccccc32)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 4/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 1/20 0.46
MCL1 Q07820 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21414666 0.82 ALDH1A1 (0.49) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL18646915 0.81 MAPT (0.50) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL18614034 0.81 MAPT (0.47) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL18646924 0.76 MAPT (0.44) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL9503619 0.75 LMNA (0.54) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL12880855 0.74 PGR (0.53) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL13021646 0.74 PGR (0.45) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL17917509 0.73 KMT2A (0.54) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL22308148 0.72 PGR (0.41) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL3557401 0.72 MAPT (0.55) MAPTMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217779-B Synthetic method of 3-methyl-4-nitro-dibenzofuran 西安瑞联新材料股份有限公司 2022-03-01 CN claimed
CN-111217779-A Synthetic method of 3-methyl-4-nitro-dibenzofuran 西安瑞联新材料股份有限公司 2020-06-02 CN claimed
CN-111217779-B Synthetic method of 3-methyl-4-nitro-dibenzofuran 西安瑞联新材料股份有限公司 2022-03-01 CN disclosed
CN-111217779-B Synthetic method of 3-methyl-4-nitro-dibenzofuran 西安瑞联新材料股份有限公司 2022-03-01 CN disclosed
CN-111217779-B Synthetic method of 3-methyl-4-nitro-dibenzofuran 西安瑞联新材料股份有限公司 2022-03-01 CN disclosed
CN-111217779-A Synthetic method of 3-methyl-4-nitro-dibenzofuran 西安瑞联新材料股份有限公司 2020-06-02 CN disclosed
CN-111217779-A Synthetic method of 3-methyl-4-nitro-dibenzofuran 西安瑞联新材料股份有限公司 2020-06-02 CN disclosed
CN-111217779-A Synthetic method of 3-methyl-4-nitro-dibenzofuran 西安瑞联新材料股份有限公司 2020-06-02 CN disclosed