Dinitrophenylene

Dinitrophenylene

SCHEMBL28982637

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.O=[N+]([O-])c1cccc([N+](=O)[O-])c1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.82
▸ CES2 O00748 1/20 0.72
▸ CES1 P23141 1/20 0.72
▸ TSHR P16473 4/20 0.65
▸ LMNA P02545 1/20 0.65
▸ ALDH1A1 P00352 5/20 0.62
▸ MAPT P10636 2/20 0.59
▸ PTPN1 P18031 1/20 0.57
▸ PTPN12 Q05209 1/20 0.57
▸ PTPN22 Q9Y2R2 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ ALOX5 P09917 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ PRSS1 P07477 1/20 0.54
▸ PRSS2 P07478 1/20 0.54

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
SCHEMBL132618 0.90 TP53 (1.00) TP53CES2CES1TSHRLMNA
SCHEMBL27709081 0.90 TP53 (1.00) TP53CES2CES1TSHRLMNA
SCHEMBL29490968 0.90 TP53 (1.00) TP53CES2CES1TSHRLMNA
SCHEMBL29944162 0.90 CYP3A4 (0.65) TP53CES2CES1LMNAALDH1A1
SCHEMBL132541 0.90 CYP3A4 (0.65) TP53CES2CES1LMNAALDH1A1
SCHEMBL11534873 0.89 TP53 (0.96) TP53CES2CES1TSHRLMNA
Hydrochloric Acid SCHEMBL3199181 0.89 TP53 (0.96) TP53CES2CES1TSHRLMNA
SCHEMBL11320128 0.89 TP53 (0.96) TP53CES2CES1TSHRLMNA
SCHEMBL8816405 0.89 TP53 (0.96) TP53CES2CES1TSHRLMNA
SCHEMBL10415666 0.89 TP53 (0.96) TP53CES2CES1TSHRLMNA

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-115785202-A Collagen tripeptide hyaluronic acid compound, preparation method and application thereof 苏州快乐猩球生物科技有限公司 2023-03-14 — — CN disclosed
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