SCHEMBL6583253

SCHEMBL6583253

Cc1nc2cc(C(=O)OC(C)(C)C)c(N=C=S)c(C)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL6583248 0.85 DHODH (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8124116 0.81 ATM (0.40)
SCHEMBL6585164 0.74 HSP90AA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7478263 0.71 MEN1 (0.33)
SCHEMBL8124112 0.68 ALDH1A1 (0.40)
SCHEMBL6954595 0.65 GABRA1 (0.30) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6954591 0.65 GABRA1 (0.30) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8132025 0.62 HSP90AA1 (0.43)
SCHEMBL6585161 0.62 PARP1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6583292 0.62 KCNH2 (0.42)

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-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 EP disclosed