SCHEMBL7922807

SCHEMBL7922807

CC(C)(C)C1=C(C#N)S(=O)(=O)c2cc(Cl)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 3/20 0.43
KCNJ11 Q14654 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHEK1 O14757 1/20 0.31

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
SCHEMBL4257927 0.82 ABCC8 (0.49) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL7931902 0.82 KDM4E (0.52) ABCC8KCNJ11ALDH1A1CA12CA2
SCHEMBL7929286 0.80 ABCC8 (0.45) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL7931865 0.76 ABCC8 (0.41) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL7932571 0.71 ABCC8 (0.40) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL7692864 0.67 NOX1 (0.39) ALDH1A1MAPTKMT2A
SCHEMBL11467613 0.65 CA12 (0.42) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL4256305 0.65 CA12 (0.44) ABCC8KCNJ11ALDH1A1CYP1A2LMNA
SCHEMBL4266841 0.63 KDM4E (0.56) ABCC8KCNJ11ALDH1A1CA12CA2
SCHEMBL20664932 0.61 KMT2A (0.46) ABCC8KCNJ11ALDH1A1CYP1A2LMNA

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