SCHEMBL13601252

SCHEMBL13601252

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
CNR2 P34972 10/20 0.45
CNR1 P21554 6/20 0.45
S1PR1 P21453 4/20 0.42
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL14499815 0.96 THRB (0.53) THRBMEN1KMT2ATDP1APEX1
SCHEMBL19650671 0.93 CNR2 (0.52) THRBMEN1KMT2ATDP1APEX1
SCHEMBL5351677 0.92 MEN1 (0.58) THRBMEN1KMT2ATDP1APEX1
SCHEMBL26772615 0.91 CNR2 (0.52) THRBMEN1KMT2ATDP1APEX1
SCHEMBL9968784 0.91 CNR2 (0.52) THRBMEN1KMT2ATDP1APEX1
SCHEMBL27357371 0.90 THRB (0.49) THRBMEN1KMT2ATDP1APEX1
SCHEMBL18733755 0.89 THRB (0.49) THRBMEN1KMT2ATDP1APEX1
SCHEMBL9968788 0.88 CNR2 (0.47) THRBMEN1KMT2ATDP1APEX1
SCHEMBL18734364 0.88 S1PR1 (0.47) THRBMEN1KMT2ATDP1APEX1
SCHEMBL18734366 0.88 THRB (0.49) THRBMEN1KMT2ATDP1APEX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846594-B2 Acid cleaning stripper with visual dosage and rinsing indicator SEITA VICTOR (FR) 2014-09-30 US disclosed
EP-2130899-A1 Acid cleaning stripper with visual dosage and rinsing indicator SEITA, Victor (FR) 2009-12-09 EP disclosed
EP-2130616-A1 Pipe unblocker with visual temperature and rinsing indicator SEITA, Victor (FR) 2009-12-09 EP disclosed