SCHEMBL14431272

SCHEMBL14431272

N=Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.52
▸ TTR P02766 1/20 0.49
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NSD2 O96028 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ IDE P14735 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ ATIC P31939 3/20 0.42
▸ CTRB1 P17538 1/20 0.41
▸ SUMO2 P61956 4/20 0.40
▸ SUMO1 P63165 4/20 0.40
▸ SENP7 Q9BQF6 4/20 0.40
▸ SENP2 Q9HC62 4/20 0.40
▸ THRB P10828 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 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
SCHEMBL17813876 0.84 CDK2 (0.42) CYP1A2MEN1KMT2ANSD2BLM
SCHEMBL2774792 0.81 TTR (0.60) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL15866028 0.80 CYP1A2 (0.58) CYP1A2TTRMEN1KMT2ANSD2
Lithium SCHEMBL18420655 0.78 TTR (0.72) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL313371 0.78 TTR (0.53) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL27582411 0.77 CTRB1 (0.47) CYP1A2MEN1KMT2ACTRB1TDP1
SCHEMBL29363198 0.76 TTR (0.75) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL6242 0.76 TTR (0.75) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL30233642 0.76 TTR (0.75) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL8113738 0.76 TTR (0.55) CYP1A2TTRMEN1KMT2ANSD2

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
EP-1380621-B1 Fibre reactive azo dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2007-08-22 — — EP disclosed
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