SCHEMBL7060893

SCHEMBL7060893

CCCCc1cccc2[nH][c]nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
IDO1 P14902 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33

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
SCHEMBL2526583 0.95 LIPG (0.39) LIPGALOX5PTGS2TLR8KCNH2
SCHEMBL1828031 0.90 DAO (0.33)
SCHEMBL1379817 0.83 GABRA1 (0.38) GABRA1GABRB2TLR8KCNH2
SCHEMBL10767160 0.81 HIF1A (0.34)
SCHEMBL7616893 0.75 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA2GABRB2
SCHEMBL8474445 0.73
SCHEMBL433019 0.72 CYP3A4 (0.42) BCL2L1CYP3A4CYP2D6CYP2C9
SCHEMBL30031381 0.72 LIPG (0.34) LIPGALOX5PTGS2GABRPGABRD
SCHEMBL1002953 0.72 LIPG (0.34) LIPGALOX5PTGS2GABRPGABRD
SCHEMBL7856329 0.72 HTR2A (0.43) GABRPGABRDGABRA1IDO1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003027130-A2 TRANSITION METAL COMPLEXES FOR PREPARING OLEFIN OLIGOMERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2003-04-03 WO disclosed
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