SCHEMBL313902

SCHEMBL313902

C=Cc1ccc(S(=O)(=O)O)c2ccccc12.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
CYP1A2 P05177 3/20 0.42
CTRB1 P17538 1/20 0.41
COMT P21964 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
LDHA P00338 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
MPL P40238 3/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
SUMO2 P61956 4/20 0.35
SUMO1 P63165 4/20 0.35
SENP7 Q9BQF6 4/20 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
SCHEMBL30192595 0.98 TTR (0.46) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL313414 0.98 TTR (0.46) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL26489003 0.87 TTR (0.55) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL8615019 0.83 LDHA (0.37) LDHAALDH1A1TDP1MEN1KMT2A
SCHEMBL7710380 0.82 TTR (0.59) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL7184712 0.81 TTR (0.47) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL703189 0.80 TTR (0.61) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL29409575 0.80 TTR (0.61) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL9810944 0.80 ALDH1A1 (0.39) LDHAALDH1A1HSD17B10TDP1
SCHEMBL313901 0.79 THRB (0.44) LDHAALDH1A1ALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849199-A Resin and surface protection board or materials used in auto manufacturing 住友化学株式会社 2018-03-27 CN disclosed
US-8093342-B2 Polymer, charge control agent, and toner for developing electrostatic latent images CANON KABUSHIKI KAISHA (JP) 2012-01-10 US disclosed
US-20100291482-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
US-20070117945-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2007-05-24 US disclosed