SCHEMBL2852487

SCHEMBL2852487

CS(=O)(=O)c1cccc(NC(=O)Oc2cnn(-c3ccc([N+](=O)[O-])cc3)c2C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CCR1 P32246 1/20 0.41
ACHE P22303 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
EPHX2 P34913 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
PTGS2 P35354 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2856385 0.89 CCR1 (0.44) RAB9ACCR1EPHX2KEAP1NFE2L2
SCHEMBL2862974 0.89 KEAP1 (0.50) MAPTNPC1RAB9ANPSR1MEN1
SCHEMBL2855798 0.88 MAPT (0.45) MAPTNPSR1CCR1MEN1KMT2A
SCHEMBL2856588 0.88 KEAP1 (0.42) MAPTCCR1MEN1KMT2AEPHX2
SCHEMBL2853595 0.86 LMNA (0.44) MAPTNPC1RAB9AEPHX2KEAP1
SCHEMBL2869545 0.85 KEAP1 (0.40) MAPTCCR1EPHX2KEAP1NFE2L2
SCHEMBL2860990 0.85 KEAP1 (0.43) MAPTCCR1MEN1KMT2AEPHX2
SCHEMBL2855716 0.84 KEAP1 (0.46) MAPTNPC1RAB9AKEAP1NFE2L2
SCHEMBL2853373 0.82 ACHE (0.47) MAPTNPC1RAB9ANPSR1ACHE
SCHEMBL2854592 0.82 MEN1 (0.40) MAPTNPSR1MEN1KMT2AEPHX2

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