SCHEMBL9647237

SCHEMBL9647237

O=c1[nH]c2ccccc2c2nc(-c3ccccc3)cn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.55
GABRA2 P47869 2/20 0.55
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRB2 P47870 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRE P78334 1/20 0.55
GABRA6 Q16445 1/20 0.55
GABRG1 Q8N1C3 1/20 0.55
GABRG3 Q99928 1/20 0.55
GABRQ Q9UN88 1/20 0.55
PIM1 P11309 1/20 0.55
RPS6KB1 P23443 1/20 0.55
CSNK1D P48730 1/20 0.55
CLK2 P49760 1/20 0.55

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
SCHEMBL7399877 0.85 PIM1 (0.49) GABRA1GABRA2GABRPGABRDGABRB1
SCHEMBL7407417 0.81 CLK4 (0.50) GABRA1GABRA2GABRPGABRDGABRB1
SCHEMBL9650393 0.75 GABRP (0.47) GABRA1GABRA2GABRPGABRDGABRB1
SCHEMBL9256388 0.73 ADORA3 (0.55) PIM1RPS6KB1CSNK1DCLK2STK3
SCHEMBL21063203 0.72 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL8094714 0.72 GABRA2 (0.64) GABRA1GABRA2GABRA5GABRA3PIM1
SCHEMBL7406885 0.72 MAPK14 (0.45) GABRA1GABRA2PIM1RPS6KB1CSNK1D
SCHEMBL7403563 0.72 FEN1 (0.43) PIM1RPS6KB1CSNK1DCLK2STK3
SCHEMBL7402945 0.72 SMN1; SMN2 (0.44) GABRA1GABRA2GABRA5GABRA3PIM1
SCHEMBL10927900 0.72 POLB (0.54) GABRA1GABRA2GABRPGABRDGABRB1

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-5128338-A Cardiovascular disorders ADIR ET COMPAGNIE (FR) 1992-07-07 US disclosed