SCHEMBL7616893

SCHEMBL7616893

CC(C)Cc1cccc2[nH][c]nc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA2 P47869 1/20 0.32
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
ELANE P08246 1/20 0.30
CTSG P08311 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
SCHEMBL1379817 0.81 GABRA1 (0.38) GABRA1GABRB2ELANE
SCHEMBL10767160 0.79 HIF1A (0.34)
SCHEMBL4737660 0.78
SCHEMBL1828031 0.78 DAO (0.33)
SCHEMBL7213697 0.77
SCHEMBL2526583 0.74 LIPG (0.39)
SCHEMBL2158571 0.72 SLC6A4 (0.36)
SCHEMBL23733959 0.71 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL7716433 0.71 GABRA1 (0.44) GABRA1GABRB2GABRG2GABRB3GABRA2
SCHEMBL29410060 0.71 GABRA1 (0.44) GABRA1GABRB2GABRG2GABRB3GABRA2

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-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed