SCHEMBL5164035

SCHEMBL5164035

Cc1ccccc1S(=O)(=O)ON=C1C=CC(=O)C(CO)=C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
NPSR1 Q6W5P4 7/20 0.50
ALDH1A1 P00352 7/20 0.50
MPI P34949 6/20 0.50
XBP1 P17861 5/20 0.50
LMNA P02545 5/20 0.50
MAPK1 P28482 4/20 0.50
S1PR2 O95136 3/20 0.50
PKM P14618 3/20 0.50
HTT P42858 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
RAB9A P51151 5/20 0.37
HSP90AA1 P07900 5/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL5850660 0.83 MAPT (0.71) MAPTNPSR1ALDH1A1MPIXBP1
SCHEMBL5160459 0.82 MAPT (0.65) MAPTNPSR1ALDH1A1MPIXBP1
SCHEMBL5852654 0.81 ALDH1A1 (0.53) MAPTNPSR1ALDH1A1MPIXBP1
SCHEMBL5164029 0.80 ALDH1A1 (0.55) MAPTNPSR1ALDH1A1MPIXBP1
SCHEMBL5163599 0.77 KDM4E (0.40) MAPTNPSR1ALDH1A1MPIXBP1
SCHEMBL5161357 0.72 MAPT (0.62) MAPTNPSR1ALDH1A1MPIXBP1
SCHEMBL5165378 0.70 MAPT (0.66) MAPTNPSR1ALDH1A1MPIXBP1
SCHEMBL5160646 0.69 MAPT (0.65) MAPTNPSR1ALDH1A1MPIXBP1
SCHEMBL5850781 0.69 MAPT (0.48) MAPTNPSR1ALDH1A1MPIXBP1
SCHEMBL5160441 0.68 MAPT (0.56) MAPTNPSR1ALDH1A1MPIXBP1

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-1399114-B1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AG (DE) 2007-03-28 EP claimed