SCHEMBL2852249

SCHEMBL2852249

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CCR1 P32246 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPK10 P53779 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRAF P15056 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2855767 0.88 P2RX1 (0.47) MAPTKEAP1NFE2L2MEN1KMT2A
SCHEMBL2852372 0.88 MAPT (0.48) MAPTMEN1KMT2APKMALDH1A1
SCHEMBL2855798 0.88 MAPT (0.45) MAPTKEAP1NFE2L2CCR1MEN1
SCHEMBL2854610 0.87 KEAP1 (0.45) MAPTKEAP1NFE2L2MEN1KMT2A
SCHEMBL2853165 0.86 MAPT (0.42) MAPTKEAP1NFE2L2CCR1MEN1
SCHEMBL2859466 0.86 MAPT (0.46) MAPTKEAP1NFE2L2CCR1MEN1
SCHEMBL2860427 0.86 MAPT (0.48) MAPTKEAP1NFE2L2CCR1MEN1
SCHEMBL2863249 0.85 LMNA (0.48) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL2856561 0.85 MAPT (0.49) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL2850258 0.85 MAPT (0.51) MAPTCCR1MEN1KMT2ANPSR1

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