SCHEMBL2853385

SCHEMBL2853385

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ACHE P22303 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRAF P15056 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CCR1 P32246 3/20 0.38
GPR6 P46095 1/20 0.37
NR3C2 P08235 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2850258 0.91 MAPT (0.51) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2860829 0.90 TNKS (0.42) MAPTMEN1KMT2AACHENPSR1
SCHEMBL2852360 0.90 MAPT (0.42) MAPTMEN1KMT2AACHENPSR1
SCHEMBL2848615 0.90 MAPT (0.44) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2854221 0.89 MAPT (0.51) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2854572 0.89 RAB9A (0.44) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2852565 0.89 MAPT (0.42) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2856756 0.89 ACHE (0.40) MAPTMEN1KMT2AACHENPSR1
SCHEMBL2853258 0.88 NPY5R (0.45) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2848317 0.88 MAPT (0.46) MAPTMEN1KMT2AACHENPSR1

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