SCHEMBL7929271

SCHEMBL7929271

COc1ccc2c(c1)S(=O)(=O)C(C#N)=C(C(C)C)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
SNCA P37840 2/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
ALDH1A1 P00352 3/20 0.35
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
USP8 P40818 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4266841 0.84 KDM4E (0.56) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL7929286 0.81 ABCC8 (0.45) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL7931902 0.81 KDM4E (0.52) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL7930935 0.79 KDM4E (0.53) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL7692046 0.69 SNCA (0.59) KDM4EMAPTKMT2ACA12CA1
SCHEMBL1726986 0.66 KDM4E (0.47) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL9829945 0.65 KDM4E (0.56) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL9813147 0.65 MAPT (0.63) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL8878883 0.65 MAPT (0.72) KDM4EPOLBMAPTKMT2ACA12
SCHEMBL9813220 0.64 KMT2A (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232310-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2001-05-15 US claimed
US-6232310-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2001-05-15 US disclosed