SCHEMBL2858110

SCHEMBL2858110

N#Cc1ccccc1NC(=O)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 4/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHR1 P34998 1/20 0.38
EPHB3 P54753 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL2852552 0.87 MEN1 (0.51) KDM4EALDH1A1MAPTPDK1PDK2
SCHEMBL2848541 0.86 RAB9A (0.43) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2854596 0.86 TP53 (0.46) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL2859508 0.85 CYP1A2 (0.46) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2855775 0.84 P2RY1 (0.44) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL2850610 0.83 MAPT (0.40) KDM4EALDH1A1GAAMAPTPDK2
SCHEMBL2852548 0.83 MAPT (0.37) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2857074 0.83 LPAR1 (0.42) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2854497 0.83 NPY5R (0.44) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL2848317 0.83 MAPT (0.46) KDM4EALDH1A1MAPTPOLBSMN1; SMN2

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