SCHEMBL2860401

SCHEMBL2860401

O=C(NC1CCc2ccccc21)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NTRK1 P04629 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE2A O00408 1/20 0.41
HTT P42858 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SPR P35270 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2854219 0.94 ALDH1A1 (0.47) MAPTPOLBSMN1; SMN2NTRK1ALDH1A1
SCHEMBL2856213 0.92 CNR1 (0.47) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL2852199 0.88 KMT2A (0.47) SMN1; SMN2ALDH1A1HTTMAPK1TAS1R3
SCHEMBL2857660 0.87 LMNA (0.48) SMN1; SMN2ALDH1A1HTTMAPK1TAS1R3
SCHEMBL2854682 0.82 ALDH1A1 (0.60) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2854713 0.82 NTRK1 (0.49) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2850487 0.76 HTT (0.48) SMN1; SMN2NTRK1ALDH1A1HTTMAPK1
SCHEMBL2850725 0.76 MAPT (0.54) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2857566 0.75 CNR1 (0.54) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2860851 0.75 CNR1 (0.46) MAPK13MAPK12MAPK11MAPK14MAPT

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