SCHEMBL9162855

SCHEMBL9162855

Nc1cnc2ccc(F)cc2c1-c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
HSD11B1 P28845 1/20 0.39
CLK4 Q9HAZ1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8835043 0.86 NR4A2 (0.47) SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2247727 0.84 MAP4K4 (0.45) HTR5AALOX5APFEN1
Ammonia Solution, Strong SCHEMBL2248185 0.84 NR4A2 (0.46) SMN1; SMN2
SCHEMBL8835094 0.83 GRM2 (0.41) CLK4SMN1; SMN2
Ammonia Solution, Strong SCHEMBL4775543 0.82 GRM2 (0.41) CLK4SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2248963 0.82 SMN1; SMN2 (0.56) SMN1; SMN2
SCHEMBL9159755 0.82 NCF1 (0.42)
SCHEMBL8834931 0.80 SMN1; SMN2 (0.36) ALOX5APFEN1SMN1; SMN2
SCHEMBL8835425 0.80 MAPT (0.40) CLK4SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2247533 0.79 MAPT (0.40) CLK4SMN1; SMN2

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
EP-0354994-B1 Quinoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-25 EP disclosed
US-5254565-A Enzyme inhibitors; anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US disclosed
EP-0354994-A2 Quinoline derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-02-21 EP disclosed