SCHEMBL6585800

SCHEMBL6585800

Cc1ccc(N=C=S)c2c1NC(C(=O)OC(C)(C)C)C2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 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
SCHEMBL6583379 0.78 ALDH1A1 (0.32)
SCHEMBL6585204 0.71 KDM4E (0.31)
SCHEMBL6585692 0.70 MEN1 (0.37)
SCHEMBL8326659 0.69 KDM4E (0.45)
SCHEMBL6586975 0.67 UCHL1 (0.39)
SCHEMBL29079914 0.67 EPHX2 (0.36)
SCHEMBL8300757 0.65 LMNA (0.32)
SCHEMBL6579377 0.64 GABRA1 (0.32)
SCHEMBL29079929 0.63 ALDH1A1 (0.32)
SCHEMBL1963460 0.61 MTNR1A (0.47)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944621-B1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2004-09-01 EP disclosed