SCHEMBL6003638

SCHEMBL6003638

Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.O=[N+]([O-])c1ccc(NCCO)c(OCCO)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.73
TSHR P16473 2/20 0.73
GPR35 Q9HC97 1/20 0.51
PKM P14618 1/20 0.47
KMT2A Q03164 4/20 0.46
CYP19A1 P11511 6/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
ATM Q13315 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
SCHEMBL109798 0.86 TSHR (1.00) TDP1TSHRPKMKMT2ACYP19A1
SCHEMBL29392721 0.86 TSHR (1.00) TDP1TSHRPKMKMT2ACYP19A1
SCHEMBL2469878 0.80 TSHR (0.83) TDP1TSHRPKMKMT2ACYP19A1
SCHEMBL5175179 0.80 TSHR (0.87) TDP1TSHRPKMKMT2ACYP19A1
SCHEMBL4824584 0.77 TSHR (0.77) TDP1TSHRPKMKMT2ACYP19A1
SCHEMBL10857568 0.77 TDP1 (0.61) TDP1TSHRPKMKMT2AALDH1A1
SCHEMBL4829755 0.76 TSHR (0.79) TDP1TSHRKMT2ACYP19A1ALDH1A1
SCHEMBL108393 0.76 KMT2A (0.65) TDP1TSHRPKMKMT2AALDH1A1
SCHEMBL29390080 0.76 KMT2A (0.65) TDP1TSHRPKMKMT2AALDH1A1
SCHEMBL11419359 0.76 GPR35 (0.53) TDP1TSHRGPR35KMT2AALDH1A1

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
WO-2006087195-A2 DYE COMPOSITION COMPRISING AT LEAST ONE METHINE DYE OF PARTICULAR STRUCTURE AND PROCESS FOR IMPLEMENTATION THEREOF L'OREAL (FR) 2006-08-24 WO disclosed