SCHEMBL5967712

SCHEMBL5967712

CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.78
▸ KMT2A Q03164 2/20 0.78
▸ TSHR P16473 3/20 0.71
▸ LMNA P02545 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ NPSR1 Q6W5P4 2/20 0.68
▸ GAA P10253 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HTT P42858 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPK1 P28482 1/20 0.53
▸ SLC27A1 Q6PCB7 3/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ PTGES O14684 2/20 0.52

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
SCHEMBL4200066 0.86 MEN1 (0.68) MEN1KMT2ATSHRLMNAHPGD
SCHEMBL4199207 0.86 TSHR (0.70) MEN1KMT2ATSHRLMNAHPGD
SCHEMBL4206699 0.85 TSHR (0.69) MEN1KMT2ATSHRLMNAHPGD
SCHEMBL6061181 0.83 MEN1 (0.64) MEN1KMT2ATSHRLMNAHPGD
SCHEMBL4204241 0.82 TSHR (1.00) MEN1KMT2ATSHRLMNAHPGD
SCHEMBL5793722 0.78 MEN1 (0.60) MEN1KMT2ATSHRLMNAHPGD
SCHEMBL4199802 0.78 TSHR (0.75) MEN1KMT2ATSHRLMNAGAA
SCHEMBL4203551 0.73 TSHR (0.70) TSHRLMNAHPGDNPSR1GAA
SCHEMBL4211130 0.72 MEN1 (0.78) MEN1KMT2ATSHRLMNANPSR1
SCHEMBL4208252 0.72 TSHR (0.70) MEN1KMT2ATSHRLMNANPSR1

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
EP-1615667-A2 COMBINATIONS OF AN 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2006-01-18 — — EP disclosed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 — — WO disclosed
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