SCHEMBL18734366

SCHEMBL18734366

CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(c2ccc(N(CC)Cc3cccc(S(=O)(=O)O)c3)cc2)c2c(C)cc(S(=O)(=O)O)cc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
MEN1 O00255 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
S1PR1 P21453 5/20 0.43
CNR2 P34972 9/20 0.41
CNR1 P21554 6/20 0.41
GRK6 P43250 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL18719290 0.97 MEN1 (0.47) THRBMEN1APEX1RECQLBLM
SCHEMBL18733755 0.94 THRB (0.49) THRBMEN1APEX1RECQLBLM
SCHEMBL18719286 0.92 THRB (0.47) THRBMEN1APEX1RECQLBLM
SCHEMBL14499815 0.89 THRB (0.53) THRBMEN1APEX1RECQLBLM
SCHEMBL13601252 0.88 THRB (0.52) THRBMEN1APEX1RECQLBLM
SCHEMBL18734364 0.87 S1PR1 (0.47) THRBMEN1APEX1RECQLBLM
SCHEMBL18733989 0.86 THRB (0.48) THRBMEN1APEX1RECQLBLM
SCHEMBL26772615 0.86 CNR2 (0.52) THRBMEN1APEX1RECQLBLM
SCHEMBL9968784 0.86 CNR2 (0.52) THRBMEN1APEX1RECQLBLM
SCHEMBL19650671 0.85 CNR2 (0.52) THRBMEN1APEX1RECQLBLM

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-20170101533-A1 NOVEL COMPOUND, COLORING COMPOSITION FOR DYEING OR TEXTILE PRINTING, INK JET INK, METHOD OF PRINTING ON FABRIC, AND DYED OR PRINTED FABRIC FUJIFILM CORPORATION (JP) 2017-04-13 US disclosed