SCHEMBL2853390

SCHEMBL2853390

CCCc1c(OC(=O)Nc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.49
MAPT P10636 6/20 0.47
HSP90AA1 P07900 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.42
CNR2 P34972 2/20 0.42
IDH1 O75874 1/20 0.42
DHODH Q02127 1/20 0.41
NPY5R Q15761 1/20 0.41

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
SCHEMBL2856278 0.92 MAPT (0.56) MAPTHSP90AA1NPSR1KDM4EMEN1
SCHEMBL2857246 0.89 MAPT (0.57) CCR1MAPTNPSR1LMNAPKM
SCHEMBL2852375 0.86 CCR1 (0.63) CCR1MAPTHSP90AA1NPSR1MEN1
SCHEMBL2860847 0.85 CCR1 (0.55) CCR1MAPTHSP90AA1NPSR1KDM4E
SCHEMBL2854221 0.85 MAPT (0.51) CCR1MAPTHSP90AA1NPSR1KDM4E
SCHEMBL2852672 0.85 MAPT (0.60) MAPTKMT2AGAALMNAPKM
SCHEMBL2856261 0.84 MAPT (0.56) MAPTMEN1KMT2AGAALMNA
SCHEMBL2860246 0.84 CCR1 (0.47) CCR1MAPTMEN1KMT2AGAA
SCHEMBL2848681 0.82 MAPT (0.47) CCR1MAPTKDM4EGAALMNA
SCHEMBL2853491 0.82 ALDH1A1 (0.55) MAPTGAALMNAPKM

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