SCHEMBL28539708

SCHEMBL28539708

O=[N+]([O-])c1cccc(O)c1-c1ccccc1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
APEX1 P27695 1/20 0.50
CASP6 P55212 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
FBP1 P09467 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL7769469 0.98 GPR35 (0.56) GPR35TDP1ALDH1A1CRHBPCRHR2
SCHEMBL28221727 0.85 TDP1 (0.63) GPR35TDP1ALDH1A1CRHBPCRHR2
SCHEMBL6280266 0.85 GPR35 (0.67) GPR35TDP1ALDH1A1POLBMAPT
SCHEMBL1423445 0.79 MEN1 (0.54) MAPTSMN1; SMN2HIF1AMEN1KMT2A
Nitrophenolate SCHEMBL27532826 0.78 GPR35 (0.63) GPR35TDP1ALDH1A1CRHBPCRHR2
Nitrophenolate SCHEMBL27998916 0.78 GPR35 (0.63) GPR35TDP1ALDH1A1CRHBPCRHR2
Nitrophenolate SCHEMBL29051225 0.78 GPR35 (0.63) GPR35TDP1ALDH1A1CRHBPCRHR2
Nitrophenolate SCHEMBL325409 0.78 GPR35 (0.63) GPR35TDP1ALDH1A1CRHBPCRHR2
SCHEMBL9444834 0.78 TDP1 (0.71) GPR35TDP1ALDH1A1CRHBPCRHR2
SCHEMBL29575337 0.78 TDP1 (0.71) GPR35TDP1ALDH1A1CRHBPCRHR2

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-112479776-A Drought-resistant boll-protecting water-soluble fertilizer and preparation method thereof 成都新柯力化工科技有限公司 2021-03-12 CN disclosed