SCHEMBL8633874

SCHEMBL8633874

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 1.00
CA2 P00918 1/20 1.00
GPR35 Q9HC97 6/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 3/20 0.61
KMT2A Q03164 2/20 0.61
CYP2C9 P11712 2/20 0.61
HPGD P15428 2/20 0.61
MAPK1 P28482 2/20 0.61
MAPT P10636 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
TTR P02766 1/20 0.61
ALOX15 P16050 1/20 0.61
ALOX12 P18054 1/20 0.61
RECQL P46063 1/20 0.61
PMP22 Q01453 1/20 0.61
HIF1A Q16665 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL28718422 0.88 CA1 (0.79) CA1CA2GPR35ALDH1A1CYP1A2
SCHEMBL1649527 0.88 CA1 (0.79) CA1CA2GPR35ALDH1A1CYP1A2
SCHEMBL11529139 0.86 CA1 (0.76) CA1CA2GPR35ALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL8646817 0.86 CA1 (0.76) CA1CA2GPR35ALDH1A1CYP1A2
SCHEMBL11072023 0.81 CA1 (0.69) CA1CA2GPR35ALDH1A1CYP1A2
SCHEMBL1286515 0.80 CA1 (0.67) CA1CA2GPR35ALDH1A1CYP1A2
SCHEMBL9737315 0.80 CA1 (0.67) CA1CA2GPR35ALDH1A1CYP1A2
SCHEMBL20472194 0.80 CA1 (0.67) CA1CA2GPR35ALDH1A1CYP1A2
SCHEMBL29563055 0.80 CA1 (0.67) CA1CA2GPR35ALDH1A1CYP1A2
SCHEMBL11980144 0.80 CA1 (0.67) CA1CA2GPR35ALDH1A1CYP1A2

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
US-20230305394-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-5741487-A SUPPRESSES DENTAL PLAQUE FORMATION LION CORPORATION (JP) 1998-04-21 US disclosed