SCHEMBL6827759

SCHEMBL6827759

CCCCCC1SCC(=O)N1Cc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR7 P34969 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 3/20 0.34
GRM2 Q14416 1/20 0.33

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
SCHEMBL6829809 0.79 PIM1 (0.45) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL5152787 0.76 KMT2A (0.42) KMT2AMEN1MAPTALDH1A1HTR7
SCHEMBL4859563 0.76 MAPT (0.47) MAPTALDH1A1POLBNPSR1
SCHEMBL16014923 0.68 CYP1A2 (0.37) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL5153105 0.64 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL5152239 0.64 MAPT (0.58) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9488035 0.64 GRM2 (0.39) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL6919581 0.63 MEN1 (0.65) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5156737 0.62 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL9224226 0.61 MEN1 (0.38) KMT2AMEN1MAPT

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-2004017965-A1 1,3-THIAZOLIN-4-ONES AS THERAPEUTIC COMPOUNDS IN THE TREATMENT OF PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 WO disclosed