SCHEMBL28352192

SCHEMBL28352192

NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
LMNA P02545 2/20 0.68
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP3A4 P08684 2/20 0.59
GPR35 Q9HC97 5/20 0.53
HPGD P15428 3/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TTR P02766 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52

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
SCHEMBL1877825 0.87 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AHTTCA1
SCHEMBL29475238 0.87 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AHTTCA1
Trinitrophenol SCHEMBL10635681 0.83 GPR35 (0.69) ALDH1A1LMNAKMT2AHTTCA1
SCHEMBL11776637 0.83 KMT2A (0.63) ALDH1A1LMNAKMT2AHTTCA1
SCHEMBL11449923 0.82 GPR35 (0.64) ALDH1A1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL29711645 0.81 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AHTTCA1
SCHEMBL3686974 0.81 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AHTTCA1
SCHEMBL1649527 0.81 CA1 (0.79) ALDH1A1LMNAKMT2AHTTCA1
Dinitolmide SCHEMBL43712 0.80 ALDH1A1 (0.68) ALDH1A1LMNAKMT2AHTTCA1
Dinitolmide SCHEMBL29360311 0.80 ALDH1A1 (0.68) ALDH1A1LMNAKMT2AHTTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110835506-B Adhesive-reinforced textile fabric, method for the production thereof and use thereof 约翰斯曼维尔公司 2022-11-04 CN disclosed
CN-115052482-A Compositions having pesticidal utility and methods relating thereto 科迪华农业科技有限责任公司 2022-09-13 CN disclosed
CN-108101920-B Salt of aminoquinazoline derivative and application thereof 广东东阳光药业有限公司 2021-09-28 CN disclosed
CN-111770923-A Heterocyclic compound and noxious arthropod control agent containing same 住友化学株式会社 2020-10-13 CN disclosed
CN-111712497-A Heterocyclic compound and noxious arthropod control agent containing same 住友化学株式会社 2020-09-25 CN disclosed
CN-111132970-A Benzimidazole compound having cyclopropylpyridyl group or salt thereof, agricultural or horticultural insecticide containing the same, and method for using the same 日本农药株式会社 2020-05-08 CN disclosed
CN-110719907-A Heterocyclic compounds and compositions containing the same 住友化学株式会社 2020-01-21 CN disclosed