SCHEMBL12630845

SCHEMBL12630845

Cc1cccc(C(=O)N2CCN(CN=O)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ GABRD O14764 1/20 0.52
▸ GABRA1 P14867 1/20 0.52
▸ GABRB1 P18505 1/20 0.52
▸ GABRA5 P31644 1/20 0.52
▸ GABRA3 P34903 1/20 0.52
▸ GABRA2 P47869 1/20 0.52
▸ GABRB2 P47870 1/20 0.52
▸ GABRA4 P48169 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LDHA P00338 1/20 0.51
▸ ABL1 P00519 1/20 0.49

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
SCHEMBL7130857 0.85 HPGD (0.83) HPGDL3MBTL1HTTGABRDGABRA1
SCHEMBL14238822 0.85 HPGD (0.83) HPGDL3MBTL1HTTGABRDGABRA1
SCHEMBL13246374 0.84 HPGD (0.68) HPGDL3MBTL1HTTGABRDGABRA1
SCHEMBL12286133 0.82 HPGD (0.64) HPGDL3MBTL1HTTGABRDGABRA1
SCHEMBL24956770 0.81 HPGD (0.62) HPGDL3MBTL1HTTGABRDGABRA1
SCHEMBL8916079 0.80 TSHR (0.82) L3MBTL1HTTMEN1LMNATSHR
SCHEMBL12563716 0.79 HPGD (0.73) HPGDL3MBTL1HTTGABRDGABRA1
SCHEMBL8360507 0.79 HPGD (0.73) HPGDL3MBTL1HTTGABRDGABRA1
SCHEMBL2667152 0.79 HPGD (0.90) HPGDL3MBTL1HTTGABRDGABRA1
SCHEMBL1753626 0.79 HPGD (0.97) HPGDL3MBTL1HTTGABRDGABRA1

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
US-20110108793-A1 JUNCTIONS COMPRISING MOLECULAR BILAYERS FOR THE USE IN ELECTRONIC DEVICES SONY CORPORATION (JP) 2011-05-12 — — US disclosed
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