SCHEMBL25027896

SCHEMBL25027896

O=c1[nH]c2cnccc2n1-c1ccc(Oc2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.39
TNKS O95271 1/20 0.38
NPY5R Q15761 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
LIPE Q05469 1/20 0.36
OPRM1 P35372 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MAPK1 P28482 1/20 0.35
BRAF P15056 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DYRK1A Q13627 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
ROCK2 O75116 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL23927076 0.85 TNKS (0.36) MAT2ATNKSPOLBL3MBTL1
SCHEMBL23927018 0.85 TNKS (0.34) MAT2ATNKSPOLBL3MBTL1NTRK1
SCHEMBL25027700 0.83 LIPE (0.38) MAT2ANPY5REGLN1LIPEOPRM1
SCHEMBL30794039 0.83 LIPE (0.38) MAT2ANPY5REGLN1LIPEOPRM1
SCHEMBL16657387 0.80 L3MBTL1 (0.50) MAT2ATNKSNPY5RPOLBL3MBTL1
SCHEMBL30193643 0.79 LIPE (0.38) EGLN1LIPEOPRM1MAPK1ALDH1A1
SCHEMBL25027695 0.79 LIPE (0.38) EGLN1LIPEOPRM1MAPK1ALDH1A1
SCHEMBL23926975 0.78 TNKS (0.38) TNKSEGLN1POLB
SCHEMBL25027659 0.78 TNKS (0.38) TNKSGRIN1GRIN2BALDH1A1
SCHEMBL30079057 0.78 TNKS (0.38) TNKSEGLN1POLB

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
WO-2023017263-A1 POTASSIUM CHANNEL MODULATORS AUTIFONY THERAPEUTICS LIMITED (GB) 2023-02-16 WO disclosed