SCHEMBL7539865

SCHEMBL7539865

CCc1cc(N)c2[nH]c3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.54
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
CTSV O60911 1/20 0.42

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
SCHEMBL3887451 0.78 POLB (0.51) KIF11TDP1POLBGABRPGABRD
SCHEMBL8125639 0.77 KIF11 (0.50) KIF11TDP1GABRPGABRDGABRA1
SCHEMBL9397454 0.77 KIF11 (0.50) KIF11TDP1GABRPGABRDGABRA1
SCHEMBL28487161 0.76 CHUK (0.61) KIF11TDP1POLBGABRPGABRD
SCHEMBL3880297 0.75 POLB (0.49) KIF11TDP1POLBGABRPGABRD
SCHEMBL17950640 0.74 KDM4E (0.58) KIF11TDP1POLBGABRPGABRD
SCHEMBL869230 0.74 MAPT (0.54) KIF11TDP1POLBGABRPGABRD
SCHEMBL3462093 0.74 KIF11 (0.53) KIF11TDP1GABRPGABRDGABRA1
SCHEMBL4812375 0.74 KIF11 (0.79) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28606008 0.73 TDO2 (0.49) KIF11TDP1POLBGABRPGABRD

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
WO-2002026943-A2 PRODUCTION OF VIRUS-LIKE HCV PARTICLES IN THE CELLS OF INSECTS INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (INRA) (FR) 2002-04-04 WO disclosed
EP-0126685-A1 Acylated water soluble peptides or amino-acids, their preparation and use Etablissement Public dit: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1984-11-28 EP disclosed