SCHEMBL7780736

SCHEMBL7780736

O=[C]c1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.53
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
FEN1 P39748 1/20 0.40
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL1146161 0.82 HSD11B1 (0.59) HTR6KMT2ATSHRHTTPOLB
SCHEMBL2746856 0.82 HTR6 (0.52) HTR6KMT2ATSHRHTTPOLB
SCHEMBL8080841 0.79 HTR6 (0.72) HTR6KMT2ATSHRHTTPOLB
SCHEMBL1340781 0.75 HTR6 (0.48) HTR6KMT2ATSHRHTTPOLB
SCHEMBL5995711 0.74 ELANE (0.45) HTTPOLBGAAHSD11B1ALDH1A1
SCHEMBL15166880 0.74 ALDH1A1 (0.41) HTTPOLBGAAALDH1A1CA12
SCHEMBL5501971 0.74 CA2 (0.60) HTTGAAALDH1A1CA12CA2
SCHEMBL998537 0.74 MYC (0.41) TSHRHTTPOLBGAAALDH1A1
SCHEMBL536000 0.74 PTGS2 (0.42) HTTPOLBGAAHSD11B1ALDH1A1
SCHEMBL28283357 0.73 CA1 (0.52) HTR6KMT2ACA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827970-B1 New acid-labile group protected hydroxystyrene polymers or copolymers thereof and their application to radiation sensitive materials CLARIANT FINANCE BVI LTD (VG) 2001-09-26 EP claimed
US-5696148-A POTENT ANTAGONIST OF METABOTROPIC GLUTAMATE RECEPTORS; TREATING EPILEPSY, PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, BRAIN DISORDER AND ALZHEIMER'S DISEASE NOVO NORDISK A/S (DK) 1997-12-09 US claimed