SCHEMBL7930935

SCHEMBL7930935

CCCC1=C(C#N)S(=O)(=O)c2cc(OC)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
SNCA P37840 2/20 0.40
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
SLC10A2 Q12908 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 3/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL7931865 0.82 ABCC8 (0.41) KDM4EMAPTKMT2APOLBCA12
SCHEMBL4266841 0.81 KDM4E (0.56) KDM4EMAPTKMT2APOLBCA12
SCHEMBL7929271 0.79 KDM4E (0.53) KDM4EMAPTKMT2APOLBCA12
SCHEMBL7931902 0.78 KDM4E (0.52) KDM4EMAPTKMT2APOLBCA12
SCHEMBL9813147 0.65 MAPT (0.63) KDM4EMAPTKMT2APOLBCA12
SCHEMBL9813220 0.64 KMT2A (0.58) KDM4EMAPTKMT2APOLBCA12
Water SCHEMBL7951330 0.63 KDM4E (0.44) KDM4EMAPTKMT2APOLBCA12
SCHEMBL9829945 0.62 KDM4E (0.56) KDM4EMAPTKMT2APOLBCA12
SCHEMBL8878883 0.62 MAPT (0.72) KDM4EMAPTKMT2APOLBCA12
SCHEMBL7944400 0.62 KDM4E (0.45) KDM4EMAPTKMT2APOLBCA12

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