SCHEMBL9415779

SCHEMBL9415779

O=c1[nH]c2ccc(S(=O)(=O)CCO)cc2o1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.79
ALPL P05186 3/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 3/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NOS1 P29475 1/20 0.47
ALPI P09923 2/20 0.47
ALPG P10696 2/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL26434348 0.85 POLB (0.58) POLBALPLKMT2AMEN1TSHR
SCHEMBL2989702 0.80 ALPL (0.62) POLBALPLKMT2AMEN1TSHR
SCHEMBL118365 0.76 ALPL (0.58) POLBALPLKMT2AMEN1TSHR
SCHEMBL30098905 0.76 POLB (0.59) POLBALPLKMT2AMEN1TSHR
SCHEMBL15661830 0.76 ALPL (0.58) POLBALPLKMT2AMEN1TSHR
SCHEMBL16975842 0.76 POLB (0.59) POLBALPLKMT2AMEN1TSHR
Benzene SCHEMBL29186724 0.74 POLB (0.60) POLBALPLKMT2AMEN1TSHR
SCHEMBL10153780 0.73 SMN1; SMN2 (0.64) POLBALPLKMT2AMEN1TSHR
SCHEMBL7408427 0.72 NOS1 (0.49) POLBALPLKMT2AMEN1MAPT
SCHEMBL7765514 0.71 NOS1 (0.56) POLBALPLKMT2AMEN1TSHR

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
EP-0614947-A1 Water-soluble copper complexes of monoazo naphtol-carborylic acids, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-14 EP disclosed
US-4485041-A Water-soluble metal free or copper triazino-bis-[hydroxy-naphthylamino]-disazo dyestuffs containing fiber reactive groups, and a process for dyeing or printing cellulose fibers HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-27 US disclosed
US-4191703-A REACTING 5- OR 6-(HYDROXYETHYL SULFONYL) BENZOXAZOL-2- ONE WITH SULFURIC ACID AND/OR SULFUR TRIOXIDE WHILE KNEADING HOECHST AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed