SCHEMBL9536346

SCHEMBL9536346

COc1ccc(O)c(C2=NN(c3ccccc3C(F)(F)F)C(=O)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
PHGDH O43175 1/20 0.40
MAPK14 Q16539 1/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CYP24A1 Q07973 1/20 0.38
TP53 P04637 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
SCHEMBL9534104 0.75 MAOB (0.58) MAOBMAPTKDM4EMAPK1KMT2A
SCHEMBL9537036 0.75 MAOB (0.58) MAOBMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL9533087 0.74 MAOB (0.57) MAOBMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL9534595 0.72 MAOB (0.59) MAOBMAPTPDCD1CD274KMT2A
SCHEMBL1133533 0.70 MAPT (0.55) MAPTKDM4ESMN1; SMN2PDCD1CD274
SCHEMBL3535015 0.68 LOX (0.60) MAPTKDM4EMAPK1SMN1; SMN2KMT2A
SCHEMBL11887425 0.68 MAPT (0.68) MAPTKDM4EMAPK1SMN1; SMN2KMT2A
SCHEMBL10381797 0.67 MAOB (0.49) MAOBMAPTKDM4EKMT2AMEN1
SCHEMBL3534371 0.66 ALDH1A1 (0.39) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL3529246 0.65 ALDH1A1 (0.40) MAPTKDM4EMAPK1KMT2AMEN1

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
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed