SCHEMBL496339

SCHEMBL496339

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.51
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
RAF1 P04049 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
VCAM1 P19320 1/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TTR P02766 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
SCHEMBL2712279 0.81 GPR35 (0.57) GPR35ALDH1A1KMT2AHTTLMNA
SCHEMBL2712274 0.81 GPR35 (0.57) GPR35ALDH1A1KMT2AHTTLMNA
SCHEMBL19210852 0.79 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMAPK1MAPT
SCHEMBL29444506 0.79 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMAPK1MAPT
SCHEMBL26984384 0.77 ALDH1A1 (0.45) ALDH1A1KMT2AHTTLMNAPKM
SCHEMBL1821387 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AHTTMAPTPKM
SCHEMBL1906515 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AHTTLMNAMAPK1
SCHEMBL496118 0.76 GPR35 (0.54) GPR35ALDH1A1KMT2AHTTLMNA
SCHEMBL496779 0.76 GPR35 (0.54) GPR35ALDH1A1KMT2AHTTLMNA
SCHEMBL14627171 0.75 ALDH1A1 (0.42) GPR35ALDH1A1KMT2AHTTLMNA

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-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed