SCHEMBL2852565

SCHEMBL2852565

O=C(Nc1cccc(O)c1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NLRP3 Q96P20 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRAF P15056 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
BAZ1A Q9NRL2 1/20 0.39
CCR1 P32246 3/20 0.38
CNR1 P21554 1/20 0.38
HTT P42858 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
SCHEMBL2850258 0.92 MAPT (0.51) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2854221 0.90 MAPT (0.51) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2854572 0.90 RAB9A (0.44) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2853258 0.89 NPY5R (0.45) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2852360 0.89 MAPT (0.42) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2848615 0.89 MAPT (0.44) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2853385 0.89 MAPT (0.42) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2848317 0.89 MAPT (0.46) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2860939 0.88 LMNA (0.45) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2858311 0.87 RAB9A (0.47) MAPTMEN1KMT2AL3MBTL1BRAF

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