SCHEMBL28376083

SCHEMBL28376083

O=C(O)c1cc([N+](=O)[O-])c(C(=O)O)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ PKM P14618 1/20 0.45
▸ DTYMK P23919 1/20 0.45
▸ CDC25B P30305 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HCAR3 P49019 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL29193642 0.85 CA1 (0.46) CA1CA2PKMDTYMKCDC25B
SCHEMBL11669204 0.85 PKM (0.47) CA1CA2PKMDTYMKTSHR
SCHEMBL11669352 0.85 CA1 (0.53) CA1CA2DTYMKCDC25BTSHR
SCHEMBL8461350 0.82 CA1 (0.41) CA1CA2PKMDTYMKCDC25B
SCHEMBL8464193 0.82 CA1 (0.41) CA1CA2PKMDTYMKCDC25B
SCHEMBL11799475 0.81 CASP6 (0.48) CA1CA2PKMDTYMKCDC25B
SCHEMBL16602089 0.80 CA1 (0.56) CA1CA2DTYMKTSHRTDP1
SCHEMBL29163865 0.79 TDP1 (0.51) CA1CA2PKMDTYMKCDC25B
SCHEMBL8461110 0.78 CA1 (0.44) CA1CA2PKMDTYMKCDC25B
SCHEMBL8463578 0.78 CA1 (0.44) CA1CA2PKMDTYMKCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110973132-A Hydrophobic antibacterial mildew-proof material and preparation method and application thereof 江苏中科睿赛污染控制工程有限公司 2020-04-10 — — CN claimed
CN-110973132-A Hydrophobic antibacterial mildew-proof material and preparation method and application thereof 江苏中科睿赛污染控制工程有限公司 2020-04-10 — — CN disclosed
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