SCHEMBL30580418

SCHEMBL30580418

O=C([O-])c1occc1[N+](=O)[O-].O=C([O-])c1occc1[N+](=O)[O-].[Ca+2]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
GPR35 Q9HC97 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
CASP6 P55212 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL30580417 0.96 CA1 (0.38) CA1CA2GPR35TDP1HTT
Potassium Ion SCHEMBL30721056 0.96 CA1 (0.38) CA1CA2GPR35TDP1HTT
SCHEMBL3083049 0.82 CASP6 (0.44) CA1CA2GPR35TDP1L3MBTL1
SCHEMBL6429062 0.82 ALDH1A1 (0.42) GPR35TDP1HTTMAPTCASP6
SCHEMBL12559304 0.81 MAPK1 (0.41) GPR35TDP1L3MBTL1MAPTALDH1A1
Hydrochloric Acid SCHEMBL6429065 0.81 CASP6 (0.43) CA1CA2GPR35TDP1L3MBTL1
SCHEMBL3264461 0.81 PARP1 (0.42) GPR35L3MBTL1HTTMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL30580416 0.81 CASP6 (0.43) CA1CA2GPR35TDP1L3MBTL1
SCHEMBL8700187 0.77 TGM2 (0.36) GPR35TDP1L3MBTL1HTTMAPT
SCHEMBL2039324 0.77 VCAM1 (0.43) TDP1MAPTALDH1A1MEN1KMT2A

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
WO-2024024851-A1 AGENT FOR SUPPRESSING DECREASE IN YIELD AMOUNT デンカ株式会社 2024-02-01 WO disclosed
WO-2023176347-A1 METHOD FOR CULTIVATING CITRUS PLANT, AND LIQUID COMPOSITION デンカ株式会社 2023-09-21 WO disclosed