SCHEMBL9156872

SCHEMBL9156872

CSc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
HPGD P15428 3/20 0.74
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 3/20 0.34
PPARA Q07869 4/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
Water SCHEMBL303865 0.99 MAPT (0.73) MAPTHPGDALDH1A1POLBTHRB
SCHEMBL29395167 0.86 MAPT (0.62) MAPTHPGDALDH1A1POLBTHRB
SCHEMBL9226505 0.86 MAPT (0.62) MAPTHPGDALDH1A1POLBTHRB
Water SCHEMBL10600149 0.85 MAPT (0.61) MAPTHPGDALDH1A1POLBTHRB
SCHEMBL9156344 0.83 MAPT (0.77) MAPTHPGDALDH1A1POLBTHRB
SCHEMBL8942584 0.82 HPGD (0.90) MAPTHPGDALDH1A1POLBTHRB
SCHEMBL16865132 0.79 MAPT (0.71) MAPTHPGDALDH1A1POLBTHRB
Betaine SCHEMBL11485783 0.74 MAPT (0.49) MAPTHPGDALDH1A1THRBRECQL
SCHEMBL2929704 0.74 MAPT (0.64) MAPTHPGDALDH1A1POLBTHRB
SCHEMBL8517706 0.74 MAPT (0.77) MAPTHPGDALDH1A1POLBTHRB

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-0467155-B1 Blue spectral sensitizers for non-tabular silver halide elements DU PONT (US) 1995-02-22 EP disclosed
US-5102781-A Used for radiographic elements designed for exposure to intensifying screens E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-07 US disclosed
EP-0467155-A1 Blue spectral sensitizers for non-tabular silver halide elements E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-22 EP disclosed