SCHEMBL2494783

SCHEMBL2494783

O=C(O)C(C(=O)O)c1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
PDK1 Q15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 0.39
CASP6 P55212 1/20 0.39
PARP1 P09874 1/20 0.38
DTYMK P23919 1/20 0.38
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL15498651 0.81 ALDH1A1 (0.64) PDK1ALDH1A1PKMLMNAMAPK1
SCHEMBL7043142 0.80 CASP6 (0.64) PDK1TSHRCASP6LMNAAPEX1
SCHEMBL1223088 0.80 CYP1A2 (0.44) CYP1A2PDK1ALDH1A1TSHRCASP6
SCHEMBL7682006 0.80 MAPK1 (0.49) CYP1A2PDK1ALDH1A1TSHRMAPK1
SCHEMBL7043138 0.80 CASP6 (0.64) PDK1TSHRCASP6LMNAAPEX1
SCHEMBL7047455 0.80 ALOX15 (0.54) CYP1A2PDK1ALDH1A1TSHRCASP6
SCHEMBL3528404 0.80 ATM (0.49) CYP1A2PDK1ALDH1A1TSHRCASP6
SCHEMBL7047463 0.80 ALOX15 (0.54) CYP1A2PDK1ALDH1A1TSHRCASP6
SCHEMBL1223091 0.80 CYP1A2 (0.44) CYP1A2PDK1ALDH1A1TSHRCASP6
SCHEMBL27838069 0.80 TSHR (0.55) PDK1ALDH1A1TSHR

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
JP-2011207859-A METHOD FOR PRODUCING 6-BROMO-2-OXYINDOLE OR 6-IODO-2-OXYINDOLE MANAC INC 2011-10-20 JP disclosed