SCHEMBL11617005

SCHEMBL11617005

CS(=O)(=O)c1c(O)c2ccccc2[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.61
ALDH1A1 P00352 8/20 0.61
MAPT P10636 3/20 0.61
IDE P14735 1/20 0.61
MPI P34949 1/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
DAO P14920 1/20 0.56
DDO Q99489 1/20 0.56
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2C Q14957 2/20 0.53
GRIN3A Q8TCU5 2/20 0.53
HPGD P15428 4/20 0.53
POLB P06746 1/20 0.51
HSD17B10 Q99714 4/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL25419480 0.83 KDM4E (0.61) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL11619027 0.81 KDM4E (0.57) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL11619748 0.76 AHR (0.49) KDM4EMAPTDAODDOHPGD
SCHEMBL1884123 0.76 KDM4E (1.00) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL2726546 0.75 DAO (0.73) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL29505902 0.75 DAO (0.73) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL30875869 0.74 MAPT (0.58) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6202865 0.73 AHR (0.55) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL2943656 0.72 KDM4E (0.65) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL3360017 0.72 DAO (1.00) KDM4EALDH1A1MAPTIDEMPI

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
US-4127574-A ANTIALLERGENS SANDOZ, INC. (US) 1978-11-28 US disclosed