SCHEMBL18938545

SCHEMBL18938545

O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-].[CH2]

nearest known ligand 0.96

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.96
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 3/20 0.50
ERN1 O75460 1/20 0.47
CTSB P07858 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CXCR2 P25025 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A3 Q8NEV1 2/20 0.44
KCNMA1 Q12791 1/20 0.44
S100A4 P26447 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL16979 0.98 GPR35 (1.00) GPR35TSHRTDP1ERN1CTSB
SCHEMBL29516730 0.98 GPR35 (1.00) GPR35TSHRTDP1ERN1CTSB
SCHEMBL27486173 0.96 GPR35 (0.96) GPR35TSHRTDP1ERN1CTSB
Ammonia Solution, Strong SCHEMBL4427722 0.96 GPR35 (0.96) GPR35TSHRTDP1ERN1CTSB
Methane SCHEMBL27840914 0.96 GPR35 (0.96) GPR35TSHRTDP1ERN1CTSB
SCHEMBL5492558 0.96 GPR35 (0.96) GPR35TSHRTDP1ERN1CTSB
Ammonia Solution, Strong SCHEMBL30775489 0.96 GPR35 (0.96) GPR35TSHRTDP1ERN1CTSB
Fluoride SCHEMBL8639543 0.96 GPR35 (0.96) GPR35TSHRTDP1ERN1CTSB
SCHEMBL28135998 0.96 GPR35 (0.96) GPR35TSHRTDP1ERN1CTSB
SCHEMBL27287865 0.96 GPR35 (0.96) GPR35TSHRTDP1ERN1CTSB

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
US-20170166488-A1 Multifunctional Organic Agricultural Fertilizer Composition and Process for Preparation Thereof CHAUDHRY SUUNIL SUDHAKAR (IN) 2017-06-15 US claimed