SCHEMBL2860656

SCHEMBL2860656

CS(=O)(=O)N=C(N)Nc1cccc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ACHE P22303 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR1 P32246 3/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRAF P15056 1/20 0.35
GPR6 P46095 1/20 0.34
CNR2 P34972 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2852324 0.89 MAPT (0.40) MAPTMEN1KMT2AACHENPSR1
SCHEMBL2856122 0.87 MAPT (0.39) MAPTMEN1KMT2AACHENPSR1
SCHEMBL2852774 0.87 BRAF (0.39) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2859938 0.87 MAPT (0.45) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2853385 0.87 MAPT (0.42) MAPTMEN1KMT2AACHENPSR1
SCHEMBL2856296 0.86 MAPT (0.38) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2855798 0.85 MAPT (0.45) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2848615 0.85 MAPT (0.44) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2850258 0.84 MAPT (0.51) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2859466 0.84 MAPT (0.46) MAPTMEN1KMT2ANPSR1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed