SCHEMBL2852774

SCHEMBL2852774

CS(=O)(=O)N=C(Nc1cccc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.39
MAPT P10636 5/20 0.39
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GPR35 Q9HC97 1/20 0.34
GPR6 P46095 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
PTGS2 P35354 2/20 0.34
CCR1 P32246 1/20 0.34

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
SCHEMBL14258155 0.88 BRAF (0.50) BRAFMAPTKEAP1NFE2L2KMT2A
SCHEMBL2860656 0.87 MAPT (0.41) BRAFMAPTKEAP1NFE2L2KMT2A
SCHEMBL2852324 0.86 MAPT (0.40) BRAFMAPTKEAP1NFE2L2KMT2A
SCHEMBL2856122 0.84 MAPT (0.39) BRAFMAPTKEAP1NFE2L2KMT2A
SCHEMBL2859938 0.84 MAPT (0.45) BRAFMAPTKEAP1NFE2L2KMT2A
SCHEMBL2856296 0.83 MAPT (0.38) BRAFMAPTKEAP1NFE2L2KMT2A
SCHEMBL2855798 0.83 MAPT (0.45) MAPTKEAP1NFE2L2KMT2AMEN1
SCHEMBL2858311 0.82 RAB9A (0.47) BRAFMAPTKMT2AMEN1NPC1
SCHEMBL2848615 0.82 MAPT (0.44) BRAFMAPTKMT2AMEN1POLB
SCHEMBL2848317 0.82 MAPT (0.46) BRAFMAPTKEAP1NFE2L2KMT2A

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