SCHEMBL9829945

SCHEMBL9829945

COc1ccc2c(c1)S(=O)(=O)c1nccnc1N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
SRC P12931 2/20 0.41
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL9831831 0.74 KMT2A (0.55) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL10727722 0.68 ABCC8 (0.63) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL8878883 0.67 MAPT (0.72) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL9813147 0.67 MAPT (0.63) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL4266841 0.67 KDM4E (0.56) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL3760039 0.66 CA12 (1.00) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL29766352 0.66 CA12 (1.00) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL9007414 0.66 MAPT (0.70) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL9830944 0.66 SNCA (0.61) KDM4EMAPTKMT2ASRCCCR1
SCHEMBL7929271 0.65 KDM4E (0.53) KDM4EPOLBMAPTKMT2ACA12

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-0140709-B1 5-LIPOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1991-04-03 EP disclosed
US-4634766-A LIPOXYGENASE INHIBITORS MERCK FROSST CANADA, INC. (CA) 1987-01-06 US disclosed
EP-0140709-A2 5-Lipoxygenase inhibitors MERCK FROSST CANADA INC. (CA) 1985-05-08 EP disclosed