SCHEMBL2854497

SCHEMBL2854497

O=C(Nc1ccccc1-n1cccc1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.44
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR6 P46095 1/20 0.38
KCNQ2 O43526 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
ACHE P22303 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2856517 0.89 MAPT (0.42) NPY5RMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL2852552 0.87 MEN1 (0.51) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL2854596 0.86 TP53 (0.46) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL2848541 0.86 RAB9A (0.43) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2854758 0.86 MEN1 (0.49) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2859508 0.85 CYP1A2 (0.46) NPY5RMAPTALDH1A1KMT2AMEN1
SCHEMBL2857955 0.85 NPY5R (0.42) NPY5RMAPTALDH1A1KMT2AMEN1
SCHEMBL2855775 0.84 P2RY1 (0.44) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL2857444 0.84 ALDH1A1 (0.42) NPY5RMAPTALDH1A1KMT2AMEN1
SCHEMBL2860712 0.84 MAPT (0.47) NPY5RMAPTALDH1A1KMT2AMEN1

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