SCHEMBL2860822

SCHEMBL2860822

CS(=O)(=O)c1ccc(F)c(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CCR1 P32246 2/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
MAPK14 Q16539 1/20 0.37
TRPV1 Q8NER1 3/20 0.36
ACHE P22303 1/20 0.36
PTGS2 P35354 5/20 0.36
PTGS1 P23219 3/20 0.36

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
SCHEMBL2859374 0.87 MAPT (0.52) MAPTCCR1CA1CA2CA4
SCHEMBL2857550 0.86 TMPRSS4 (0.45) MAPTCCR1ACHE
SCHEMBL2855798 0.85 MAPT (0.45) MAPTCCR1CA1CA2CA4
SCHEMBL2848541 0.84 RAB9A (0.43) MAPTCCR1MAPK14ACHE
SCHEMBL2859712 0.84 CA1 (0.45) MAPTCA1CA2CA4CA9
SCHEMBL2850806 0.82 MAPT (0.47) MAPTMAPK14
SCHEMBL2850752 0.82 MEN1 (0.54) MAPT
SCHEMBL2858182 0.82 P2RX7 (0.44) MAPT
SCHEMBL2853182 0.82 MAPT (0.42) MAPTCCR1ACHE
SCHEMBL2850809 0.81 MAPT (0.43) MAPTCCR1MAPK14

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