SCHEMBL28433503

SCHEMBL28433503

Cc1cc(COCc2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TSHR P16473 3/20 0.49
HSD17B10 Q99714 1/20 0.46
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
AR P10275 1/20 0.45
CYP3A4 P08684 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL31224728 0.92 L3MBTL1 (0.49) MAPTTSHRHSD17B10NR3C1PGR
SCHEMBL26343367 0.86 TSHR (0.51) MAPTTSHRALDH1A1LMNAPOLB
SCHEMBL28762606 0.86 ALDH1A1 (0.53) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL12819694 0.83 MAPT (0.45) MAPTTSHRHSD17B10NR3C1PGR
SCHEMBL13624577 0.82 TSHR (0.50) MAPTTSHRNR3C1PGRAR
SCHEMBL551849 0.82 MAPT (0.44) MAPTTSHRHSD17B10NR3C1PGR
SCHEMBL18138464 0.81 MAPT (0.53) MAPTTSHRHSD17B10NR3C1PGR
SCHEMBL13344094 0.81 MAPT (0.53) MAPTTSHRHSD17B10NR3C1PGR
SCHEMBL22422762 0.81 HPGD (0.48) MAPTTSHRHSD17B10NR3C1PGR
SCHEMBL27791672 0.81 MAPT (0.49) MAPTTSHRHSD17B10NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111646908-B Method for preparing aromatic amine compound 宜昌尚诺德生物医药科技有限公司 2023-03-10 CN disclosed
CN-111732493-B Synthesis process of arylamine compound 宜昌尚诺德生物医药科技有限公司 2023-01-24 CN disclosed
CN-109305923-B Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2022-03-11 CN disclosed
CN-109305924-B Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2022-01-04 CN disclosed
CN-111732493-A Synthesis process of arylamine compound 宜昌尚诺德生物医药科技有限公司 2020-10-02 CN disclosed
CN-111646908-A Method for preparing aromatic amine compound 宜昌尚诺德生物医药科技有限公司 2020-09-11 CN disclosed
CN-111470991-A Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2020-07-31 CN disclosed
CN-111470986-A Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2020-07-31 CN disclosed
CN-111468124-A Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2020-07-31 CN disclosed
CN-111470985-A Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2020-07-31 CN disclosed
CN-106800493-B Method for reducing aromatic nitro group into aromatic amine 宜昌尚诺德生物医药科技有限公司 2020-06-30 CN disclosed