SCHEMBL2852152

SCHEMBL2852152

O=C(Nc1cccc(Cl)c1)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
KMT2A Q03164 9/20 0.50
MEN1 O00255 8/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NTRK1 P04629 1/20 0.49
CDK19 Q9BWU1 1/20 0.49
GRIK1 P39086 2/20 0.48
KDM4E B2RXH2 3/20 0.46
P2RY1 P47900 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2854169 0.90 MAPT (0.56) MAPTRAB9ANPC1NPSR1KMT2A
SCHEMBL2858063 0.89 MAPT (0.57) MAPTRAB9ANPC1NPSR1LMNA
SCHEMBL2854048 0.87 MAPT (0.50) MAPTRAB9ANPC1NPSR1LMNA
SCHEMBL2857105 0.87 MAPT (0.56) MAPTRAB9ANPC1NPSR1KMT2A
SCHEMBL2855981 0.84 MAPT (0.60) MAPTRAB9ANPC1NPSR1KMT2A
SCHEMBL2854452 0.81 MAP4K4 (0.53) MAPTRAB9ANPC1NPSR1KMT2A
SCHEMBL2850258 0.81 MAPT (0.51) MAPTNPSR1KMT2AMEN1KDM4E
SCHEMBL2856949 0.80 LPAR1 (0.48) MAPTRAB9ANPC1NPSR1LMNA
SCHEMBL2850518 0.80 MAPT (0.48) MAPTRAB9ANPC1NPSR1LMNA
SCHEMBL2850404 0.80 KMT2A (0.52) MAPTRAB9ANPC1NPSR1KMT2A

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 disclosed